 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer03_STD_wB97XD_def2SVPD.in
 Output=30_ibuprofen_conformer03_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
            -H     0
            S    3   1.00
                 13.0107010              0.19682158D-01
                  1.9622572              0.13796524
                  0.44453796             0.47831935
            S    1   1.00
                  0.12194962             1.0000000
            P    1   1.00
                  0.8000000              1.0000000
            P    1   1.00
                  0.11704099050          1.0000000
            ****
            -He     0
            S    3   1.00
                 38.354936737            0.23814288905D-01
                  5.7689081479           0.15490906777
                  1.2399407035           0.46998096633
            S    1   1.00
                  0.29757815953          1.0000000
            P    1   1.00
                  1.0000000              1.0000000
            P    1   1.00
                  0.22039119441          1.0000000
            ****
            -Li     0
            S    5   1.00
                266.27785516             0.64920150325D-02
                 40.069783447            0.47747863215D-01
                  9.0559944389           0.20268796111
                  2.4503009051           0.48606574817
                  0.72209571855          0.43626977955
            S    1   1.00
                  0.52810884721D-01      1.0000000
            S    1   1.00
                  0.20960948798D-01      1.0000000
            P    2   1.00
                  1.4500000              0.2586000
                  0.3000000              1.0000000
            P    1   1.00
                  0.0820000              1.0000000
            P    1   1.00
                  0.26347662457D-01      1.0000000
            ****
            -Be     0
            S    5   1.00
                515.18616125             0.55615307983D-02
                 77.511037595            0.41190068062D-01
                 17.552481693            0.17913378108
                  4.8028940596           0.44736716455
                  1.4516214316           0.42009581920
            S    1   1.00
                  0.13281633620          1.0000000
            S    1   1.00
                  0.45837372213D-01      1.0000000
            P    3   1.00
                  3.6316917145          -0.29033998305D-01
                  0.71695694366         -0.16877854032
                  0.19541932860         -0.51403419628
            P    1   1.00
                  0.60515465890D-01      1.0000000
            P    1   1.00
                  0.30181880660D-01      1.0000000
            ****
            -B     0
            S    5   1.00
                839.31830086            -0.55929201074D-02
                126.26464843            -0.41565520771D-01
                 28.620600763           -0.18299816983
                  7.8793722710          -0.46540391866
                  2.4088857172          -0.44173884791
            S    1   1.00
                  0.25105109036          1.0000000
            S    1   1.00
                  0.83648866069D-01      1.0000000
            S    1   1.00
                  0.42351565332D-01      1.0000000
            P    3   1.00
                  6.0332223619          -0.35603672456D-01
                  1.2499157866          -0.19895775769
                  0.33871676350         -0.50850202618
            P    1   1.00
                  0.96415632351D-01      1.0000000
            D    1   1.00
                  0.5000000              1.0000000
            D    1   1.00
                  0.74392443101D-01      1.0000000
            ****
            -C     0
            S    5   1.00
               1238.4016938              0.54568832082D-02
                186.29004992             0.40638409211D-01
                 42.251176346            0.18025593888
                 11.676557932            0.46315121755
                  3.5930506482           0.44087173314
            S    1   1.00
                  0.40245147363          1.0000000
            S    1   1.00
                  0.13090182668          1.0000000
            S    1   1.00
                  0.67053540256D-01      1.0000000
            P    3   1.00
                  9.4680970621           0.38387871728D-01
                  2.0103545142           0.21117025112
                  0.54771004707          0.51328172114
            P    1   1.00
                  0.15268613795          1.0000000
            D    1   1.00
                  0.8000000              1.0000000
            D    1   1.00
                  0.11713185140          1.0000000
            ****
            -N     0
            S    5   1.00
               1712.8415853             -0.53934125305D-02
                257.64812677            -0.40221581118D-01
                 58.458245853           -0.17931144990
                 16.198367905           -0.46376317823
                  5.0052600809          -0.44171422662
            S    1   1.00
                  0.58731856571          1.0000000
            S    1   1.00
                  0.18764592253          1.0000000
            S    1   1.00
                  0.96171241529D-01      1.0000000
            P    3   1.00
                 13.571470233           -0.40072398852D-01
                  2.9257372874          -0.21807045028
                  0.79927750754         -0.51294466049
            P    1   1.00
                  0.21954348034          1.0000000
            D    1   1.00
                  1.0000000              1.0000000
            D    1   1.00
                  0.16697708112          1.0000000
            ****
            -O     0
            S    5   1.00
               2266.1767785             -0.53431809926D-02
                340.87010191            -0.39890039230D-01
                 77.363135167           -0.17853911985
                 21.479644940           -0.46427684959
                  6.6589433124          -0.44309745172
            S    1   1.00
                  0.80975975668          1.0000000
            S    1   1.00
                  0.25530772234          1.0000000
            S    1   1.00
                  0.76572453250D-01      1.0000000
            P    3   1.00
                 17.721504317            0.43394573193D-01
                  3.8635505440           0.23094120765
                  1.0480920883           0.51375311064
            P    1   1.00
                  0.27641544411          1.0000000
            P    1   1.00
                  0.69002276350D-01      1.0000000
            D    1   1.00
                  1.2000000              1.0000000
            D    1   1.00
                  0.17992024323          1.0000000
            ****
            -F     0
            S    5   1.00
               2894.8325990             -0.53408255515D-02
                435.41939120            -0.39904258866D-01
                 98.843328866           -0.17912768038
                 27.485198001           -0.46758090825
                  8.5405498171          -0.44653131020
            S    1   1.00
                  1.0654578038           1.0000000
            S    1   1.00
                  0.33247346748          1.0000000
            S    1   1.00
                  0.98097752264D-01      1.0000000
            P    3   1.00
                 22.696633924           -0.45212874436D-01
                  4.9872339257          -0.23754317067
                  1.3491613954          -0.51287353587
            P    1   1.00
                  0.34829881977          1.0000000
            P    1   1.00
                  0.83372148304D-01      1.0000000
            D    1   1.00
                  1.4000000              1.0000000
            D    1   1.00
                  0.22301361948          1.0000000
            ****
            -Ne     0
            S    5   1.00
               3598.9736625             -0.53259297003D-02
                541.32073112            -0.39817417969D-01
                122.90450062            -0.17914358188
                 34.216617022           -0.46893582977
                 10.650584124           -0.44782537577
            S    1   1.00
                  1.3545953960           1.0000000
            S    1   1.00
                  0.41919362639          1.0000000
            S    1   1.00
                  0.12055043545          1.0000000
            P    3   1.00
                 28.424053785           -0.46031944795D-01
                  6.2822510953          -0.23993183041
                  1.6978715079          -0.50871724964
            P    1   1.00
                  0.43300700172          1.0000000
            P    1   1.00
                  0.10141942051          1.0000000
            D    1   1.00
                  1.8880000              1.0000000
            D    1   1.00
                  0.28026803041          1.0000000
            ****
            -Na     0
            S    5   1.00
               4098.2003908             -0.58535911879D-02
                616.49374031            -0.43647161872D-01
                139.96644001            -0.19431465884
                 39.073441051           -0.48685065731
                 11.929847205           -0.41881705137
            S    3   1.00
                 20.659966030            0.85949689854D-01
                  1.9838860978          -0.56359144041
                  0.64836323942         -0.51954009048
            S    1   1.00
                  0.52443967404D-01      1.0000000
            S    1   1.00
                  0.28048160742D-01      1.0000000
            P    5   1.00
                 75.401862017            0.154353625324D-01
                 17.274818978            0.997382931840D-01
                  5.1842347425           0.312095939659
                  1.6601211973           0.492956748074
                  0.51232528958          0.324203983180
            P    1   1.00
                  0.0520000              1.0000000
            P    1   1.00
                  0.19853008514D-01      1.0000000
            D    1   1.00
                  0.1310000              1.0000000
            ****
            -Mg     0
            S    5   1.00
               4953.8339196             -0.57778967498D-02
                745.18044154            -0.43124761082D-01
                169.21604972            -0.19268216987
                 47.300672019           -0.48641439116
                 14.461336973           -0.42550894077
            S    3   1.00
                 24.768174789            0.87956969984D-01
                  2.4940945349          -0.55165058128
                  0.87807584533         -0.53443294833
            S    1   1.00
                  0.87212782497D-01      1.0000000
            S    1   1.00
                  0.33599293780D-01      1.0000000
            P    5   1.00
                 98.053010494           -0.14480564601D-01
                 22.586932277           -0.95495750787D-01
                  6.8391509842          -0.30787672651
                  2.2332843818          -0.49936292886
                  0.71606599387         -0.31503476213
            P    1   1.00
                  0.18914796195          1.0000000
            P    1   1.00
                  0.53768755187D-01      1.0000000
            P    1   1.00
                  0.23963578287D-01      1.0000000
            D    1   1.00
                  0.1010000              1.0000000
            ****
            -Al     0
            S    5   1.00
               5887.5727030              0.13483347987D-02
                885.61225996             0.10071576809D-01
                201.13604899             0.45132454056D-01
                 56.284974674            0.11461268043
                 17.229551243            0.10159608943
            S    3   1.00
                 29.340249922            0.69347454208D-01
                  3.0439630420          -0.42528117679
                  1.1285539518          -0.41449832210
            S    1   1.00
                  0.14234175160          1.0000000
            S    1   1.00
                  0.54400192313D-01      1.0000000
            S    1   1.00
                  0.32535359511D-01      1.0000000
            P    5   1.00
                145.11918809             0.63963373134D-02
                 33.717894833            0.44189359965D-01
                 10.369863083            0.15581575993
                  3.5135616036           0.28635286951
                  1.1980050273           0.22921423248
            P    1   1.00
                  0.26583005913          1.0000000
            P    1   1.00
                  0.71003361994D-01      1.0000000
            D    1   1.00
                  0.3000000              1.0000000
            D    1   1.00
                  0.53071685831D-01      1.0000000
            ****
            -Si     0
            S    5   1.00
               6903.7118686              0.13373962995D-02
               1038.4346419              0.99966546241D-02
                235.87581480             0.44910165101D-01
                 66.069385169            0.11463638540
                 20.247945761            0.10280063858
            S    3   1.00
                 34.353481730            0.70837285010D-01
                  3.6370788192          -0.43028836252
                  1.4002048599          -0.41382774969
            S    1   1.00
                  0.20484414805          1.0000000
            S    1   1.00
                  0.77994095468D-01      1.0000000
            S    1   1.00
                  0.46834778282D-01      1.0000000
            P    5   1.00
                179.83907373             0.61916656462D-02
                 41.907258846            0.43399431982D-01
                 12.955294367            0.15632019351
                  4.4383267393           0.29419996982
                  1.5462247904           0.23536823814
            P    1   1.00
                  0.35607612302          1.0000000
            P    1   1.00
                  0.10008513762          1.0000000
            D    1   1.00
                  0.3500000              1.0000000
            D    1   1.00
                  0.74117707708D-01      1.0000000
            ****
            -P     0
            S    5   1.00
               8002.4795106              0.57503489302D-02
               1203.6813590              0.43007628959D-01
                273.44227031             0.19363986252
                 76.655541517            0.49651693399
                 23.516927435            0.44983262479
            S    3   1.00
                 39.791683439            0.95188129789D-01
                  4.2770343323          -0.57649840368
                  1.6940256888          -0.54239583865
            S    1   1.00
                  0.27567674644          1.0000000
            S    1   1.00
                  0.10495590099          1.0000000
            S    1   1.00
                  0.64309734755D-01      1.0000000
            P    5   1.00
                219.50755823             0.92100565257D-02
                 51.274155030            0.65409765745D-01
                 15.921595892            0.24033730279
                  5.5069913481           0.46318321788
                  1.9537719426           0.37392563382
            P    1   1.00
                  0.47803397932          1.0000000
            P    1   1.00
                  0.13657952621          1.0000000
            D    1   1.00
                  0.4500000              1.0000000
            D    1   1.00
                  0.99587311089D-01      1.0000000
            ****
            -S     0
            S    5   1.00
               9184.9303010             -0.22294387756D-02
               1381.5105503             -0.16683029937D-01
                313.87147580            -0.75262436116D-01
                 88.053870623           -0.19376827038
                 27.039914905           -0.17718020803
            S    3   1.00
                 45.648731303           -0.10736062573
                  4.9664522326           0.65066293018
                  2.0116242047           0.59712155354
            S    1   1.00
                  0.35661077013          1.0000000
            S    1   1.00
                  0.13507221477          1.0000000
            S    1   1.00
                  0.44999823506D-01      1.0000000
            P    5   1.00
                261.98233439            -0.92729929822D-02
                 61.306894736           -0.66547669241D-01
                 19.103729887           -0.24828595903
                  6.6567720378          -0.48703847402
                  2.3959635161          -0.39337850312
            P    1   1.00
                  0.61776161679          1.0000000
            P    1   1.00
                  0.16993376871          1.0000000
            P    1   1.00
                  0.41706793676D-01      1.0000000
            D    1   1.00
                  0.5500000              1.0000000
            D    1   1.00
                  0.10172853717          1.0000000
            ****
            -Cl     0
            S    5   1.00
              10449.8275660              0.19708362484D-02
               1571.7365221              0.14754727977D-01
                357.12065523             0.66679112875D-01
                100.25185935             0.17228924084
                 30.812727554            0.15883786100
            S    3   1.00
                 51.923789434           -0.10009298909
                  5.7045760975           0.60841752753
                  2.3508376809           0.54352153355
            S    1   1.00
                  0.44605124672          1.0000000
            S    1   1.00
                  0.16848856190          1.0000000
            S    1   1.00
                  0.55344229413D-01      1.0000000
            P    5   1.00
                307.66790569            -0.87801484118D-02
                 72.102015515           -0.63563355471D-01
                 22.532680262           -0.24016428276
                  7.8991765444          -0.47798866557
                  2.8767268321          -0.38515850005
            P    1   1.00
                  0.77459363955          1.0000000
            P    1   1.00
                  0.21037699698          1.0000000
            P    1   1.00
                  0.50046271086D-01      1.0000000
            D    1   1.00
                  0.6500000              1.0000000
            D    1   1.00
                  0.12284803390          1.0000000
            ****
            -Ar     0
            S    5   1.00
              11797.1197650              0.20214479973D-02
               1774.3522753              0.15139852688D-01
                403.18875733             0.68525400873D-01
                113.24933999             0.17762929207
                 34.835298193            0.16496495001
            S    3   1.00
                 58.614775042           -0.10343394000
                  6.4922045078           0.63133365899
                  2.7117014403           0.54887572301
            S    1   1.00
                  0.54412974538          1.0000000
            S    1   1.00
                  0.20517411136          1.0000000
            S    1   1.00
                  0.66442487045D-01      1.0000000
            P    5   1.00
                356.28707256            -0.87321783271D-02
                 83.593132866           -0.63680317444D-01
                 26.186704029           -0.24311906886
                  9.2257275925          -0.48956069653
                  3.3922754954          -0.39229190040
            P    1   1.00
                  0.94740534010          1.0000000
            P    1   1.00
                  0.25659135062          1.0000000
            P    1   1.00
                  0.59491455142D-01      1.0000000
            D    1   1.00
                  0.6960000              1.0000000
            D    1   1.00
                  0.14309493859          1.0000000
            ****
            -K     0
            S    6   1.00
              31478.7467640              0.39838653994D-02
               4726.8876066              0.30501759762D-01
               1075.4345353              0.15073752622
                303.39811023             0.51912939801
                 98.327112831            1.0366957005
                 33.636222177            0.76398963199
            S    3   1.00
                 65.639209962           -0.28242617106
                  7.3162592218           1.6914935860
                  2.8902580135           1.2965331953
            S    3   1.00
                  4.5459748965          -0.76343555273D-02
                  0.70404124062          0.25635718960D-01
                  0.28266888959          0.16606859208D-01
            S    1   1.00
                  0.29058164020D-01      1.0000000
            S    1   1.00
                  0.12111638157D-01      1.0000000
            P    5   1.00
                361.22492154             0.20906479823D-01
                 84.670222166            0.15043641740
                 26.469088236            0.55440061077
                  9.2658077615           1.0409009991
                  3.3423388293           0.67825341194
            P    3   1.00
                  1.5100876104           0.75248191146
                  0.56568375163          1.3708585031
                  0.20817008495          0.66047633079
            P    1   1.00
                  0.0417370              1.0000000
            P    1   1.00
                  0.16603217986D-01      1.0000000
            D    1   1.00
                  0.3530000              1.0000000
            D    1   1.00
                  0.0980000              1.0000000
            ****
            -Ca     0
            S    6   1.00
              35138.7139290              0.39482520740D-02
               5276.4111348              0.30234243552D-01
               1200.4692589              0.14952019681
                338.71810542             0.51597345713
                109.85385922             1.0339510296
                 37.608880299            0.76937933526
            S    3   1.00
                 73.107977555           -0.28268525011
                  8.2407705688           1.6796092142
                  3.2959812993           1.2803766016
            S    3   1.00
                  5.2341800914          -0.76868604561D-02
                  0.84187220515          0.25382375978D-01
                  0.36510294029          0.16512171511D-01
            S    1   1.00
                  0.51222402884D-01      1.0000000
            S    1   1.00
                  0.19825111408D-01      1.0000000
            P    5   1.00
                413.11313893             0.20327135354D-01
                 96.935786224            0.14730276362
                 30.372154659            0.54887167322
                 10.684776830            1.0440659818
                  3.8821258350           0.68653490684
            P    3   1.00
                  1.7993016295           0.75410246871
                  0.69189056530          1.3409296599
                  0.26364024096          0.56391989435
            P    1   1.00
                  0.0749790              1.0000000
            P    1   1.00
                  0.23809355789D-01      1.0000000
            D    3   1.00
                  5.4979093879           0.73770011433D-01
                  1.3177128032           0.26052853169
                  0.32188682649          0.45233836380
            D    1   1.00
                  0.70528614919D-01      1.0000000
            ****
            -Sc     0
            S    6   1.00
              38956.0818040              0.39293205858D-02
               5849.5733637              0.30093221229D-01
               1330.8813154              0.14890370950
                375.55534165             0.51464282906
                121.87261370             1.0337708070
                 41.760243729            0.77436851627
            S    3   1.00
                 81.060633953           -0.28318552316
                  9.2059823972           1.6770806984
                  3.7063215732           1.2594733678
            S    3   1.00
                  5.9888909988          -0.77821367493D-02
                  0.97363432378          0.25499692745D-01
                  0.42041019223          0.16191560820D-01
            S    1   1.00
                  0.59440551913D-01      1.0000000
            S    1   1.00
                  0.22897806303D-01      1.0000000
            P    5   1.00
                466.31481262             0.19984300385D-01
                109.51217097             0.14561043072
                 34.375921827            0.54687466223
                 12.142096955            1.0479006012
                  4.4336767669           0.68894890327
            P    3   1.00
                  2.0971291866           0.75619214724
                  0.80977606956          1.3178212235
                  0.30834046588          0.54312268173
            P    1   1.00
                  0.0897480              1.0000000
            P    1   1.00
                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
                 19.888520061           -0.22857227762
                  3.3668473803           0.73591359951
                  1.5249277839           0.44330199577
            S    1   1.00
                  0.29630037912          1.0000000
            S    1   1.00
                  0.11009288974          1.0000000
            S    1   1.00
                  0.42167294728D-01      1.0000000
            P    5   1.00
               1455.9068120              0.88203597043D-02
                343.75101831             0.66875851967D-01
                109.29554964             0.26640578080
                 39.707711022            0.53834928422
                 14.950185232            0.36303281993
            P    3   1.00
                  8.0208962094           0.34153807025
                  3.2934649756           0.57257906583
                  1.4058602438           0.25549813222
            P    1   1.00
                  0.45076123226          1.0000000
            P    1   1.00
                  0.13353413325          1.0000000
            P    1   1.00
                  0.34396697938D-01      1.0000000
            D    4   1.00
                 94.494024044            0.23490101098D-01
                 27.188185260            0.13747735767D+00
                  9.5091567352           0.36649929124D+00
                  3.4170516853           0.48750989884D+00
            D    1   1.00
                  1.1479590083            .27657943383D+00
            D    1   1.00
                  0.3380000              1.0000000
            D    1   1.00
                  0.82767380906D-01      1.0000000
            ****
            -Br     0
            S    6   1.00
             113286.3877600              0.14283037779D-02
              17009.6263030              0.10950417496D-01
               3870.1842567              0.54421006604D-01
               1093.0357227              0.19047907695
                356.39721797             0.39024642737
                123.12539643             0.30814432514
            S    3   1.00
                236.74084007            -0.11228065671
                 28.468661070            0.64775962312
                 11.883443722            0.44235575986
            S    3   1.00
                 21.269633312           -0.22642576323
                  3.6129226841           0.73823712008
                  1.6626648969           0.42683868694
            S    1   1.00
                  0.34823793232          1.0000000
            S    1   1.00
                  0.13019031394          1.0000000
            S    1   1.00
                  0.50966709763D-01      1.0000000
            P    5   1.00
               1560.2801881              0.87166669072D-02
                368.47859205             0.66243637420D-01
                117.22978849             0.26495610385
                 42.648909248            0.53839160587
                 16.087225096            0.36579387888
            P    3   1.00
                  8.6352810058           0.34248787366
                  3.5613665502           0.57500678213
                  1.5292626609           0.24330394172
            P    1   1.00
                  0.53064294848          1.0000000
            P    1   1.00
                  0.15702758965          1.0000000
            P    1   1.00
                  0.39636841846D-01      1.0000000
            D    4   1.00
                104.85518642             0.22650147581D-01
                 30.281143688            0.13455483230
                 10.651394267            0.36474454537
                  3.8699456233           0.49044587056
            D    1   1.00
                  1.3240876762            .27137289040
            D    1   1.00
                  0.3890000              1.0000000
            D    1   1.00
                  0.96543342393D-01      1.0000000
            ****
            -Kr     0
            S    6   1.00
             120165.6487500              0.14294234496D-02
              18042.5001690              0.10959597020D-01
               4105.1800388              0.54479647470D-01
               1159.4447248              0.19081239122
                378.13810346             0.39140445949
                130.67610045             0.31007346689
            S    3   1.00
                250.96373353            -0.11258604011
                 30.265930380            0.64816322524
                 12.668110757            0.44240238994
            S    3   1.00
                 22.697940101           -0.22391964908
                  3.8673017398           0.74060953026
                  1.8013706671           0.40803658445
            S    1   1.00
                  0.40308639136          1.0000000
            S    1   1.00
                  0.15170527749          1.0000000
            S    1   1.00
                  0.60450731670D-01      1.0000000
            P    5   1.00
               1668.5736623              0.86215009803D-02
                394.13862798             0.65665506884D-01
                125.46644854             0.26366576697
                 45.704992729            0.53867658574
                 17.270133229            0.36865167502
            P    3   1.00
                  9.2699487770           0.34346189015
                  3.8364617719           0.57784776196
                  1.6467163312           0.23075615197
            P    1   1.00
                  0.61479686489          1.0000000
            P    1   1.00
                  0.18319467414          1.0000000
            P    1   1.00
                  0.45792563991D-01      1.0000000
            D    4   1.00
                115.55868603             0.21945485333D-01
                 33.477985864            0.13211212879
                 11.834450207            0.36333306964
                  4.3408254894           0.49300484446
            D    1   1.00
                  1.5079273157            .26676858913
            D    1   1.00
                  0.4430000              1.0000000
            D    1   1.00
                  0.11235044486          1.0000000
            ****
            -Rb     0
            S    3   1.00
                  4.6687885071           0.29008526793
                  2.9442428420          -0.67740090428
                  0.58171262989          0.45712389487
            S    1   1.00
                  0.45147933555          1.0000000
            S    1   1.00
                  0.21604923532          1.0000000
            S    1   1.00
                  0.32088816526D-01      1.0000000
            S    1   1.00
                  0.13833878175D-01      1.0000000
            P    4   1.00
                  5.5234179480           0.51234729472D-01
                  3.4120149646          -0.17337025646
                  0.76899021792          0.43339683188
                  0.33088071786          0.55354332721
            P    1   1.00
                  0.13423268441          1.0000000
            P    1   1.00
                  0.20642679613D-01      1.0000000
            P    1   1.00
                  0.43243763156D-02      1.0000000
            D    1   1.00
                  0.2260000              1.0000000
            D    1   1.00
                  0.27432280711D-01      1.0000000
            ****
            -Sr     0
            S    3   1.00
                  5.9276428767           0.19698765364
                  3.0691274814          -0.64852205985
                  0.70675488028          0.62064729022
            S    1   1.00
                  0.33824024280          1.0000000
            S    1   1.00
                  0.61768869200D-01      1.0000000
            S    1   1.00
                  0.25767593093D-01      1.0000000
            P    4   1.00
                  2.4324720000          -0.37145059848
                  1.6642340000           0.37856824234
                  0.59455471858          0.59874487803
                  0.26152621998          0.35314019512
            P    1   1.00
                  0.10258814042          1.0000000
            P    1   1.00
                  0.33223404030D-01      1.0000000
            P    1   1.00
                  0.16570352270D-01      1.0000000
            D    4   1.00
                  3.6180810000          -0.75010000000D-02
                  0.99665600000          0.10809800000
                  0.39073500000          0.27854000000
                  0.12277000000          0.47731800000
            D    1   1.00
                  0.36655000000D-01       .44818300000
            ****
            -Y     0
            S    3   1.00
                  5.1329580000          -1.3864845457
                  4.2401920000           1.9459581166
                  1.2982800000           0.44182603154
            S    1   1.00
                  0.82904954347          1.0000000
            S    1   1.00
                  0.34752758911          1.0000000
            S    1   1.00
                  0.68418878574D-01      1.0000000
            S    1   1.00
                  0.27323992904D-01      1.0000000
            P    4   1.00
                  2.7279200000          -0.37249884911871
                  1.9790500000           0.32572065995957
                  0.79980886805          0.50094655502482
                  0.38409397354          0.44385929492812
            P    1   1.00
                  0.16173582264          1.0000000
            P    1   1.00
                  0.69700000000D-01      1.0000000
            P    1   1.00
                  0.0300000              1.0000000
            D    4   1.00
                  3.9030833060          -0.0098209792625124
                  1.1363234302           0.19183629664092
                  0.45617043877          0.40597788538820
                  0.17470950748          0.43861485518224
            D    1   1.00
                  0.61978796638D-01      1.0000000
            F    1   1.00
                  0.2651500              1.0000000
            ****
            -Zr     0
            S    3   1.00
                  5.8737890000           0.54255558714
                  4.2872700000          -0.95241333244
                  1.4641370000          -0.13703926411
            S    1   1.00
                  0.83727682345           .88521584390
            S    1   1.00
                  0.36849806511          1.0000000
            S    1   1.00
                  0.77806859124D-01      1.0000000
            S    1   1.00
                  0.30273088330D-01      1.0000000
            P    4   1.00
                  2.8742240000          -0.46624086918
                  2.1199010000           0.45883133891
                  0.78845821105          0.58853912475
                  0.36332579847          0.35822232244
            P    1   1.00
                  0.14951762021          1.0000000
            P    1   1.00
                  0.67000000000D-01      1.0000000
            P    1   1.00
                  0.30000000000D-01      1.0000000
            D    4   1.00
                  4.2898623878          -0.12212868080D-01
                  1.3615557498           0.19692423520
                  0.56937550689          0.42057831659
                  0.22674948677          0.42757027999
            D    1   1.00
                  0.83011031631D-01      1.0000000
            F    1   1.00
                  0.3926100              1.0000000
            ****
            -Nb     0
            S    3   1.00
                  6.5663010000          -0.94917907866
                  4.5864380000           1.5736372883
                  3.7537700000           0.36380422981
            S    1   1.00
                  0.84187717437          1.0000000
            S    1   1.00
                  0.38160666177          1.0000000
            S    1   1.00
                  0.85819911368D-01      1.0000000
            S    1   1.00
                  0.32702330370D-01      1.0000000
            P    4   1.00
                  3.0700630000          -0.51025115881
                  2.2379640000           0.53570598017
                  0.80801969671          0.63102216351
                  0.35783343432          0.30205908942
            P    1   1.00
                  0.13820085283          1.0000000
            P    1   1.00
                  0.70500000000D-01      1.0000000
            P    1   1.00
                  0.0360000              1.0000000
            D    4   1.00
                  4.6170975867          -0.13574476955D-01
                  1.5663438480           0.20374310496
                  0.66952425826          0.42997453105
                  0.27140946867          0.4179975484761
            D    1   1.00
                  0.10054426592          1.0000000
            F    1   1.00
                  0.5227000              1.0000000
            ****
            -Mo     0
            S    3   1.00
                  7.2033800000          -0.89310617237
                  5.0522950000           1.6074095756
                  2.9135330000           0.27804186088
            S    1   1.00
                  0.97858218681          1.0000000
            S    1   1.00
                  0.44369153753          1.0000000
            S    1   1.00
                  0.92150090705D-01      1.0000000
            S    1   1.00
                  0.34802246935D-01      1.0000000
            P    4   1.00
                  3.1518660000          -0.71873040872
                  2.4534820000           0.76442887870
                  0.85030192180          0.64808585640
                  0.36918237179          0.26792115234
            P    1   1.00
                  0.13490627460          1.0000000
            P    1   1.00
                  0.71800000000D-01      1.0000000
            P    1   1.00
                  0.38200000000D-01      1.0000000
            D    4   1.00
                  5.0044445497          -0.21587364862D-01
                  1.7736823324           0.20958680086
                  0.76950591696          0.43730880599
                  0.31530878939          0.41123927009
            D    1   1.00
                  0.11754374390          1.0000000
            F    1   1.00
                  0.6554500              1.0000000
            ****
            -Tc     0
            S    3   1.00
                  7.4344020000          -1.1436289973
                  5.5513270000           1.8752000559
                  3.0230860000           0.23952854431
            S    1   1.00
                  1.0647443990           1.0000000
            S    1   1.00
                  0.48127808497          1.0000000
            S    1   1.00
                  0.98299016952D-01      1.0000000
            S    1   1.00
                  0.36659977936D-01      1.0000000
            P    4   1.00
                  3.4490050000          -0.72277510434
                  2.6927370000           0.76458962802
                  0.94427370692          0.64533225171
                  0.41348148619          0.27195668811
            P    1   1.00
                  0.15488152305          1.0000000
            P    1   1.00
                  0.79000000000D-01      1.0000000
            P    1   1.00
                  0.40300000000D-01      1.0000000
            D    4   1.00
                  5.0906268699          -0.32176405405D-01
                  2.0156178510           0.21280802536
                  0.88113887240          0.44403309175
                  0.36427094833          0.40796933085
            D    1   1.00
                  0.13678402297          1.0000000
            F    1   1.00
                  0.7908500              1.0000000
            ****
            -Ru     0
            S    3   1.00
                  7.9365700000          -1.1772083350
                  5.9842450000           1.6197059592
                  4.8822200000           0.51065807556
            S    1   1.00
                  1.1031002163           1.0000000
            S    1   1.00
                  0.49818875261          1.0000000
            S    1   1.00
                  0.10678711393          1.0000000
            S    1   1.00
                  0.39191775872D-01      1.0000000
            P    4   1.00
                  3.7546090000          -0.70777873563
                  2.9165710000           0.74954391484
                  1.0322209568           0.64660609645
                  0.45249553774          0.27029086816
            P    1   1.00
                  0.16987042198          1.0000000
            P    1   1.00
                  0.85500000000D-01      1.0000000
            P    1   1.00
                  0.43000000000D-01      1.0000000
            D    4   1.00
                  5.7341846619          -0.35266111560D-01
                  2.2483686294           0.21802502222
                  0.98376978359          0.44709565013
                  0.40379445583          0.40371732508
            D    1   1.00
                  0.14978618173          1.0000000
            F    1   1.00
                  0.9431400              1.0000000
            ****
            -Rh     0
            S    3   1.00
                  7.9177440000           0.14014042010165D+01
                  6.8412070000          -0.17975072656312D+01
                  2.9598400000          -0.16225754496571
            S    1   1.00
                  1.3166643441            .87495110714057
            S    1   1.00
                  0.56907152172          1.0000000
            S    1   1.00
                  0.10059695193          1.0000000
            S    1   1.00
                  0.37071460798D-01      1.0000000
            P    4   1.00
                  4.1360790000          -0.55183328017626
                  2.9462810000           0.61370533515352
                  1.0792431924           0.64005434538256
                  0.46611217769          0.25958050755066
            P    1   1.00
                  0.17453169991          1.0000000
            P    1   1.00
                  0.84600000000D-01      1.0000000
            P    1   1.00
                  0.0410000              1.0000000
            D    4   1.00
                  6.8847131641          -0.15962387984517D-01
                  2.3837304391           0.23047555828858
                  1.0184384022           0.44075804027937
                  0.39957494644          0.39567661995894
            D    1   1.00
                  0.13951120264          1.0000000
            F    1   1.00
                  1.0949900              1.0000000
            ****
            -Pd     0
            S    3   1.00
                  8.4756400000           1.2392391076
                  7.1657170000          -1.6563109970
                  3.1821100000          -0.13178619060
            S    1   1.00
                  1.3973644196           1.0000000
            S    1   1.00
                  0.60532955868          1.0000000
            S    1   1.00
                  0.10229514209          1.0000000
            S    1   1.00
                  0.37338972881D-01      1.0000000
            P    4   1.00
                  4.2460970000          -0.82324104973
                  3.3925940000           0.87084659933
                  1.1975891264           0.63512225791
                  0.52673750585          0.27225338752
            P    1   1.00
                  0.20607094098          1.0000000
            P    1   1.00
                  0.87300000000D-01      1.0000000
            P    1   1.00
                  0.37000000000D-01      1.0000000
            D    4   1.00
                  7.3613290985          -0.17199885828D-01
                  2.6291037258           0.23313745275
                  1.1292744634           0.44536385867
                  0.44471659896          0.39293650406
            D    1   1.00
                  0.15544893836          1.0000000
            F    1   1.00
                  1.2462900              1.0000000
            ****
            -Ag     0
            S    3   1.00
                  9.0884420000          -1.9808918797
                  7.5407310000           2.7554513347
                  2.7940050000           0.22715408381
            S    1   1.00
                  1.4918135849           1.0000000
            S    1   1.00
                  0.63579159445          1.0000000
            S    1   1.00
                  0.10368414161          1.0000000
            S    1   1.00
                  0.37460004363D-01      1.0000000
            P    4   1.00
                  4.4512400000          -0.99352103771
                  3.6752630000           1.0500525237
                  1.2610620905           0.64747532537
                  0.54212477498          0.25621550723
            P    1   1.00
                  0.20221617026          1.0000000
            P    1   1.00
                  0.91300000000D-01      1.0000000
            P    1   1.00
                  0.0412000              1.0000000
            D    4   1.00
                  7.7956672292          -0.17042912377D-01
                  2.8926510238           0.23446154803
                  1.2474273203           0.44765877533
                  0.49313817671          0.39064954560
            D    1   1.00
                  0.17285032603          1.0000000
            F    1   1.00
                  1.3971100              1.0000000
            ****
            -Cd     0
            S    3   1.00
                  9.7270110000          -1.7930075316
                  7.8375230000           2.6110318971
                  5.0891940000           0.10748428949
            S    1   1.00
                  1.4981738327           1.0000000
            S    1   1.00
                  0.67281383129          1.0000000
            S    1   1.00
                  0.13297424875          1.0000000
            S    1   1.00
                  0.46915090488D-01      1.0000000
            P    4   1.00
                  4.7427160000          -1.0411923051
                  3.9366550000           1.1003682332
                  1.3569243142           0.65366639411
                  0.58791569541          0.24632369113
            P    1   1.00
                  0.21371239619          1.0000000
            P    1   1.00
                  0.10500000000          1.0000000
            P    1   1.00
                  0.0516000              1.0000000
            D    4   1.00
                  7.8631040859          -0.21376239365D-01
                  3.2935059133           0.22596399568
                  1.4503676025           0.45294402972
                  0.59373316766          0.39218971958231D+00
            D    1   1.00
                  0.21760141520          1.0000000
            F    1   1.00
                  1.5981300              1.0000000
            ****
            -In     0
            S    6   1.00
                283.52297445             0.70132141424D-03
                 23.324282101           -0.90887432418D-01
                 16.868026844            0.28096825177
                  6.7866498137          -0.70697832452
                  1.6782596016           0.98671644913
                  0.78396870439          0.62568576302
            S    2   1.00
                  1.8276654775          -0.34151640249
                  0.83753492534         -0.59696724334
            S    1   1.00
                  0.16643068973          1.0000000
            S    1   1.00
                  0.61143742809D-01      1.0000000
            S    1   1.00
                  0.25528481617D-01      1.0000000
            P    4   1.00
                 14.699191826            0.92248042349D-01
                  8.8709038051          -0.32437029300
                  1.1342905889           0.61162217018
                  0.52667652433          0.17609640386
            P    1   1.00
                  2.3284433667           1.0000000
            P    1   1.00
                  0.16859144934          1.0000000
            P    1   1.00
                  0.50070381081D-01      1.0000000
            D    5   1.00
                 31.378655926            0.54007004722D-02
                 18.290046326           -0.11208558948D-01
                  3.2551894590           0.30384519161
                  1.3874842584           0.54078109979
                  0.54248962672          0.38232680038
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.41325112998D-01      1.0000000
            ****
            -Sn     0
            S    6   1.00
                375.95156177             0.15224884228D-02
                 23.661818008           -0.16776065030
                 19.946281315            0.33989090393
                  6.8240270454          -0.84441791529
                  1.8771488722           0.92646952846
                  0.82033199226          0.53091094490
            S    2   1.00
                 10.341549887           -0.90331119154D-02
                  1.3672524155           0.22980877714
            S    1   1.00
                  0.18314843823          1.0000000
            S    1   1.00
                  0.69547226146D-01      1.0000000
            S    1   1.00
                  0.34867474697D-01      1.0000000
            P    4   1.00
                 21.293597748            0.37103218279D-01
                  8.8171842499          -0.32351709661
                  1.2347028371           0.83846760898
                  0.57869142617          0.23294977050
            P    1   1.00
                  2.5084050284           1.0000000
            P    1   1.00
                  0.21298577719          1.0000000
            P    1   1.00
                  0.67364584657D-01      1.0000000
            D    5   1.00
                 39.693023177            0.39185734275D-02
                 20.852179275           -0.68210073667D-02
                  3.6907832774           0.27938420495
                  1.5849404530           0.52607409874
                  0.62772693365          0.36149465348
            D    1   1.00
                  0.20500000000          1.0000000
            D    1   1.00
                  0.54356625231D-01      1.0000000
            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
                  1.9052000235           0.92017581656
                  0.93007107773          0.46754079597
            S    2   1.00
                 10.584496987           -0.14845336778D-01
                  1.4680242769           0.35289492025
            S    1   1.00
                  0.21621190032          1.0000000
            S    1   1.00
                  0.83546307041D-01      1.0000000
            S    1   1.00
                  0.43729879440D-01      1.0000000
            P    4   1.00
                 15.926550950            0.13206950012
                 10.052739237           -0.41511149340
                  1.2682183726           0.74197972626
                  0.57196620929          0.15580772750
            P    1   1.00
                  2.6190751238           1.0000000
            P    1   1.00
                  0.25183282652          1.0000000
            P    1   1.00
                  0.83389127684D-01      1.0000000
            D    5   1.00
                 45.485063360            0.32556415807D-02
                 18.504059617           -0.54952972010D-02
                  3.9156032308           0.27988806353
                  1.7142196009           0.51273377761
                  0.69675478242          0.33288802736
            D    1   1.00
                  0.23060000000          1.0000000
            D    1   1.00
                  0.66830850850D-01      1.0000000
            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
                  2.0705998798           0.79192928400
                  0.97715185085          0.40558342540
            S    2   1.00
                 11.263563841           -0.15212984183D-01
                  1.6122696062           0.35202140517
            S    1   1.00
                  0.25095401705          1.0000000
            S    1   1.00
                  0.97478452576D-01      1.0000000
            S    1   1.00
                  0.38352170654D-01      1.0000000
            P    4   1.00
                 17.479502221            0.11517799182
                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
                  0.59239616258          0.15283299018
            P    1   1.00
                  2.7961737670           1.0000000
            P    1   1.00
                  0.29766401026          1.0000000
            P    1   1.00
                  0.96151090240D-01      1.0000000
            P    1   1.00
                  0.26339831052D-01      1.0000000
            D    5   1.00
                 50.821835991            0.33763474774D-02
                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
                  0.77069282849          0.32213541689
            D    1   1.00
                  0.25000000000          1.0000000
            D    1   1.00
                  0.66543837442D-01      1.0000000
            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
                 11.720547572           -0.16160234511D-01
                  1.7625986449           0.35271525193
            S    1   1.00
                  0.28697476318          1.0000000
            S    1   1.00
                  0.11227609607          1.0000000
            S    1   1.00
                  0.45123635492D-01      1.0000000
            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
                  3.0288656771           1.0000000
            P    1   1.00
                  0.34506591841          1.0000000
            P    1   1.00
                  0.11134513813          1.0000000
            P    1   1.00
                  0.29795507230D-01      1.0000000
            D    5   1.00
                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
                  0.87640281623          0.31232025297
            D    1   1.00
                  0.30900000000          1.0000000
            D    1   1.00
                  0.77987255180D-01      1.0000000
            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
                 18.048324490            0.57524870348
            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
                  2.6257211320           1.0000000
            S    1   1.00
                  1.2905042943           1.0000000
            S    1   1.00
                  0.36204185060          1.0000000
            S    1   1.00
                  0.14069888091          1.0000000
            S    1   1.00
                  0.50201095588D-01      1.0000000
            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
                  0.52321923128          1.0000000
            P    1   1.00
                  0.21945569800          1.0000000
            P    1   1.00
                  0.86158996836D-01      1.0000000
            P    1   1.00
                  0.23749464135D-01      1.0000000
            D    6   1.00
                135.60300038             0.81873543290D-03
                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
                  1.2938205124           0.36029482992
            D    1   1.00
                  0.58050830139          1.0000000
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.68002755933D-01      1.0000000
            F    1   1.00
                  2.5000000              1.0000000
            F    1   1.00
                  0.49652793             1.0000000
            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
                  0.37485237136          1.0000000
            S    1   1.00
                  0.16384858778          1.0000000
            S    1   1.00
                  0.27230462048D-01      1.0000000
            S    1   1.00
                  0.11991533212D-01      1.0000000
            P    4   1.00
                  4.2751856154           0.45723074174D-01
                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
                  0.91450850296D-01      1.0000000
            P    1   1.00
                  0.17592078473D-01      1.0000000
            P    1   1.00
                  0.33986441258D-02      1.0000000
            D    1   1.00
                  0.1330000              1.0000000
            D    1   1.00
                  0.33216214821D-01      1.0000000
            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
                  0.27420073547          1.0000000
            S    1   1.00
                  0.40933264188D-01      1.0000000
            S    1   1.00
                  0.18060156423D-01      1.0000000
            P    4   1.00
                  2.9267420000           0.79815276764
                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
                  0.13221792446          1.0000000
            P    1   1.00
                  0.33039565349D-01      1.0000000
            P    1   1.00
                  0.14159090510D-01      1.0000000
            D    4   1.00
                  0.9663150             -0.9089380
                  0.8938280              0.9472400
                  0.2731950              0.3220570
                  0.1038910              0.4732600
            D    1   1.00
                  0.0355780              0.365977
            F    4   1.00
                 10.00                   0.073
                  3.20                   0.210
                  1.00                   0.350
                  0.32                   0.360
            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
                  0.48954926461          1.0000000
            S    1   1.00
                  0.23292032550          1.0000000
            S    1   1.00
                  0.55595529876D-01      1.0000000
            S    1   1.00
                  0.22795184937D-01      1.0000000
            P    4   1.00
                  3.0251610000          -0.28580266654872D+00
                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
                  0.32519427171         -0.58864843929619D+00
            P    1   1.00
                  0.13635489374          1.0000000
            P    1   1.00
                  0.58500000000D-01      1.0000000
            P    1   1.00
                  0.0251000              1.0000000
            D    4   1.00
                  1.2667182018          -0.17445579381106D+00
                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
                  0.13398788830          0.44878277154181D+00
            D    1   1.00
                  0.51275503081D-01      1.0000000
            F    1   1.00
                  0.2568300              1.0000000
            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
                  0.79665469409          1.0000000
            S    1   1.00
                  0.34234072894          1.0000000
            S    1   1.00
                  0.98109197714D-01      1.0000000
            S    1   1.00
                  0.36190984443D-01      1.0000000
            P    4   1.00
                  6.7265310000           0.65076205465872
                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
                  0.20258973792          1.0000000
            P    1   1.00
                  0.82500000000D-01      1.0000000
            P    1   1.00
                  0.0336000              1.0000000
            D    4   1.00
                  3.9820623229          -0.042446023944105
                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
                  0.73099858787D-01      1.0000000
            F    1   1.00
                  0.3154700              1.0000000
            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
                  0.39142776556D-01      1.0000000
            P    4   1.00
                  7.4188720000           0.26979695152
                  5.6984100000          -0.46968874449
                  1.1777211960           0.50905100155
                  0.54478533555          0.52298161137
            P    1   1.00
                  0.22309270117          1.0000000
            P    1   1.00
                  0.98100000000D-01      1.0000000
            P    1   1.00
                  0.0431000              1.0000000
            D    4   1.00
                  3.9738796278          -0.52799310714D-01
                  1.4528884813           0.18558319471
                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
                  0.87909318337D-01      1.0000000
            F    1   1.00
                  0.3738600              1.0000000
            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
            S    1   1.00
                  0.92785370307          1.0000000
            S    1   1.00
                  0.40334458241          1.0000000
            S    1   1.00
                  0.11585976646          1.0000000
            S    1   1.00
                  0.41800474073D-01      1.0000000
            P    4   1.00
                  7.2496570000           0.45857265530
                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
                  0.24106964301          1.0000000
            P    1   1.00
                  0.98600000000D-01      1.0000000
            P    1   1.00
                  0.0403000              1.0000000
            D    4   1.00
                  4.0131231332          -0.63416491808D-01
                  1.6237452450           0.18452733732
                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
                  0.10225296446          1.0000000
            F    1   1.00
                  0.4319900              1.0000000
            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
            S    1   1.00
                  0.43949851581D-01      1.0000000
            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
                  0.25922718696          1.0000000
            P    1   1.00
                  0.11190000000          1.0000000
            P    1   1.00
                  0.04200000000          1.0000000
            D    4   1.00
                  4.0616274916          -0.76667295205D-01
                  1.8487943286           0.18067495215
                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
                  0.11892742980          1.0000000
            F    1   1.00
                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
                  0.46783543749          1.0000000
            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
                  0.47101982911D-01      1.0000000
            P    4   1.00
                  7.9362790000           0.33899369659
                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
                  0.12830000000          1.0000000
            P    1   1.00
                  0.04800000000          1.0000000
            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
                  0.31306011113          1.0000000
            P    1   1.00
                  0.13100000000          1.0000000
            P    1   1.00
                  0.0548000              1.0000000
            D    4   1.00
                  3.6994850000          -0.54840155964653
                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
                  0.48989034059D-01      1.0000000
            P    4   1.00
                  8.1000000000           0.72955608128
                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
                  0.30270484669          1.0000000
            P    1   1.00
                  0.12300000000          1.0000000
            P    1   1.00
                  0.50000000000D-01      1.0000000
            D    4   1.00
                  4.6299536825          -0.87774450596D-01
                  2.1980241252           0.21158360681
                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
                  0.48876985527D-01      1.0000000
            P    4   1.00
                  8.6096650000           0.50053018599
                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
                  0.32384840661          1.0000000
            P    1   1.00
                  0.13220000000          1.0000000
            P    1   1.00
                  0.0540000              1.0000000
            D    4   1.00
                  4.1439490000          -0.37099566643
                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
                  0.16490636769          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
                  9.7729900000           0.21210940502
                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
                  0.34494917659          1.0000000
            P    1   1.00
                  0.15540000000          1.0000000
            P    1   1.00
                  0.07000000000          1.0000000
            D    4   1.00
                  4.2800000000          -0.32033414305491
                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
                  0.18501599388          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/Gau-35306.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     35326.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer03_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer03_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.859135000000     -0.797445000000      1.307905000000
  C                                                 1.475419000000     -0.773087000000      0.059735000000
  C                                                -0.519198000000     -0.667837000000      1.430715000000
  C                                                -1.322882000000     -0.517669000000      0.305982000000
  C                                                -0.712213000000     -0.493664000000     -0.948233000000
  C                                                 0.663373000000     -0.619230000000     -1.065423000000
  C                                                 2.970409000000     -0.867475000000     -0.082211000000
  C                                                 3.653427000000      0.477889000000     -0.397780000000
  C                                                 5.142776000000      0.265827000000     -0.664323000000
  C                                                 3.434072000000      1.499169000000      0.716682000000
  C                                                -2.832871000000     -0.408434000000      0.441812000000
  C                                                -3.288620000000      0.891062000000     -0.193882000000
  O                                                -3.674162000000      1.023041000000     -1.326622000000
  O                                                -3.185052000000      1.931949000000      0.663544000000
  H                                                 1.465467000000     -0.914551000000      2.198032000000
  H                                                -0.973985000000     -0.684881000000      2.413842000000
  H                                                -1.317893000000     -0.368693000000     -1.836932000000
  H                                                 1.116639000000     -0.598906000000     -2.049722000000
  H                                                 3.214767000000     -1.574910000000     -0.879790000000
  H                                                 3.401771000000     -1.271409000000      0.838508000000
  H                                                 3.194988000000      0.870891000000     -1.312084000000
  H                                                 5.304831000000     -0.437524000000     -1.483935000000
  H                                                 5.641346000000     -0.134788000000      0.222807000000
  H                                                 5.634047000000      1.205490000000     -0.924389000000
  H                                                 3.868992000000      1.144050000000      1.655622000000
  H                                                 2.373464000000      1.684234000000      0.888790000000
  H                                                 3.908029000000      2.451247000000      0.470321000000
  H                                                -3.064982000000     -0.343640000000      1.505550000000
  C                                                -3.561082000000     -1.603695000000     -0.175784000000
  H                                                -3.441613000000      2.729075000000      0.173539000000
  H                                                -3.372170000000     -1.659027000000     -1.246468000000
  H                                                -4.638896000000     -1.523016000000     -0.028230000000
  H                                                -3.211554000000     -2.526025000000      0.287996000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               1.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.859135   -0.797445    1.307905
      2          6           0        1.475419   -0.773087    0.059735
      3          6           0       -0.519198   -0.667837    1.430715
      4          6           0       -1.322882   -0.517669    0.305982
      5          6           0       -0.712213   -0.493664   -0.948233
      6          6           0        0.663373   -0.619230   -1.065423
      7          6           0        2.970409   -0.867475   -0.082211
      8          6           0        3.653427    0.477889   -0.397780
      9          6           0        5.142776    0.265827   -0.664323
     10          6           0        3.434072    1.499169    0.716682
     11          6           0       -2.832871   -0.408434    0.441812
     12          6           0       -3.288620    0.891062   -0.193882
     13          8           0       -3.674162    1.023041   -1.326622
     14          8           0       -3.185052    1.931949    0.663544
     15          1           0        1.465467   -0.914551    2.198032
     16          1           0       -0.973985   -0.684881    2.413842
     17          1           0       -1.317893   -0.368693   -1.836932
     18          1           0        1.116639   -0.598906   -2.049722
     19          1           0        3.214767   -1.574910   -0.879790
     20          1           0        3.401771   -1.271409    0.838508
     21          1           0        3.194988    0.870891   -1.312084
     22          1           0        5.304831   -0.437524   -1.483935
     23          1           0        5.641346   -0.134788    0.222807
     24          1           0        5.634047    1.205490   -0.924389
     25          1           0        3.868992    1.144050    1.655622
     26          1           0        2.373464    1.684234    0.888790
     27          1           0        3.908029    2.451247    0.470321
     28          1           0       -3.064982   -0.343640    1.505550
     29          6           0       -3.561082   -1.603695   -0.175784
     30          1           0       -3.441613    2.729075    0.173539
     31          1           0       -3.372170   -1.659027   -1.246468
     32          1           0       -4.638896   -1.523016   -0.028230
     33          1           0       -3.211554   -2.526025    0.287996
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.392238   0.000000
     3  C    1.389850   2.422635   0.000000
     4  C    2.417297   2.820703   1.390497   0.000000
     5  C    2.766148   2.424832   2.393112   1.395187   0.000000
     6  C    2.388047   1.396091   2.762525   2.415838   1.386267
     7  C    2.528795   1.504677   3.808695   4.324975   3.801504
     8  C    3.513390   2.553033   4.697540   5.123482   4.506188
     9  C    4.834233   3.879834   6.108917   6.584838   5.910865
    10  C    3.500612   3.071001   4.564439   5.183138   4.892341
    11  C    3.812133   4.340543   2.529486   1.520016   2.537061
    12  C    4.723377   5.052700   3.569199   2.469517   3.020660
    13  O    5.550287   5.627277   4.518382   3.250800   3.349136
    14  O    4.921406   5.422342   3.801870   3.097766   3.820518
    15  H    1.083364   2.142994   2.142087   3.392972   3.849470
    16  H    2.143851   3.398408   1.083356   2.143073   3.377667
    17  H    3.848802   3.400511   3.377117   2.148092   1.082706
    18  H    3.373334   2.146828   3.846317   3.392227   2.137534
    19  H    3.307486   2.133298   4.483716   4.807710   4.073690
    20  H    2.628683   2.136737   4.011110   4.813944   4.552164
    21  H    3.886373   2.746173   4.866807   4.995737   4.154590
    22  H    5.261951   4.142453   6.516713   6.865625   6.041105
    23  H    4.948343   4.217697   6.300435   6.975241   6.470536
    24  H    5.638676   4.709294   6.849693   7.271998   6.569833
    25  H    3.598548   3.457089   4.752865   5.615905   5.518116
    26  H    2.937274   2.744493   3.767415   4.341776   4.199916
    27  H    4.533354   4.059865   5.500126   6.016968   5.659632
    28  H    3.955211   4.784354   2.567435   2.122301   3.402805
    29  C    4.731775   5.109963   3.565070   2.533987   3.153554
    30  H    5.676228   6.037822   4.654032   3.879163   4.369673
    31  H    5.017080   5.098056   4.035990   2.812895   2.919313
    32  H    5.704389   6.160761   4.453287   3.481145   4.162308
    33  H    4.538580   5.009253   3.465177   2.756973   3.450429
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.520069   0.000000
     8  C    3.254203   1.541461   0.000000
     9  C    4.583586   2.518413   1.527801   0.000000
    10  C    3.916668   2.540515   1.527467   2.519519   0.000000
    11  C    3.813124   5.844945   6.600193   8.080168   6.556606
    12  C    4.319585   6.502335   6.957320   8.467625   6.811278
    13  O    4.645373   7.019468   7.406315   8.874143   7.411395
    14  O    4.930336   6.803133   7.071456   8.596041   6.633470
    15  H    3.373530   2.732503   3.669373   4.807179   3.449036
    16  H    3.845847   4.671388   5.538068   6.913300   5.203979
    17  H    2.140890   4.660189   5.244224   6.596808   5.708855
    18  H    1.083839   2.716559   3.213050   4.344752   4.174375
    19  H    2.730823   1.093758   2.153773   2.674314   3.470847
    20  H    3.398399   1.094056   2.156799   2.766350   2.773443
    21  H    2.947944   2.141247   1.095705   2.139994   2.137238
    22  H    4.663829   2.756667   2.178267   1.092121   3.477533
    23  H    5.164730   2.786354   2.170789   1.093647   2.790302
    24  H    5.296895   3.478709   2.174759   1.091764   2.760299
    25  H    4.559521   2.806020   2.169493   2.788538   1.094017
    26  H    3.471211   2.794710   2.179182   3.477517   1.090303
    27  H    4.723784   3.492612   2.170844   2.754647   1.091687
    28  H    4.537233   6.262694   7.030974   8.511586   6.801173
    29  C    4.427940   6.573519   7.512085   8.915768   7.704313
    30  H    5.440320   7.356263   7.465510   8.970024   7.005906
    31  H    4.171278   6.496950   7.392273   8.749186   7.755842
    32  H    5.477833   7.637681   8.538314   9.964220   8.652243
    33  H    4.525778   6.411280   7.524743   8.859807   7.781408
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516741   0.000000
    13  O    2.425747   1.203811   0.000000
    14  O    2.377097   1.352535   2.241897   0.000000
    15  H    4.670779   5.619861   6.526349   5.664322   0.000000
    16  H    2.724111   3.826402   4.919250   3.847098   2.459725
    17  H    2.736679   2.858384   2.783764   3.877063   4.932138
    18  H    4.673612   5.007040   5.109340   5.680808   4.273725
    19  H    6.299303   6.988958   7.376066   7.459063   3.601265
    20  H    6.306572   7.106577   7.747330   7.326551   2.392682
    21  H    6.406864   6.579358   6.870850   6.762681   4.301158
    22  H    8.362508   8.790721   9.098369   9.072165   5.340894
    23  H    8.481462   8.998349   9.514199   9.075844   4.684817
    24  H    8.726967   8.958041   9.318682   8.990316   5.623268
    25  H    6.985593   7.397032   8.112188   7.166906   3.210760
    26  H    5.628941   5.818977   6.474489   5.568590   3.048320
    27  H    7.322453   7.393720   7.922020   7.114689   4.503298
    28  H    1.090694   2.112480   3.203141   2.429341   4.618489
    29  C    1.529825   2.509656   2.870010   3.653307   5.601439
    30  H    3.207257   1.880611   2.283662   0.970226   6.438479
    31  H    2.169128   2.760049   2.700206   4.071642   5.985111
    32  H    2.173697   2.771003   3.016445   3.811692   6.526080
    33  H    2.156676   3.451757   3.926432   4.473843   5.302793
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276368   0.000000
    18  H    4.929656   2.454633   0.000000
    19  H    5.402389   4.787075   2.592965   0.000000
    20  H    4.687530   5.499828   3.743790   1.754888   0.000000
    21  H    5.803730   4.709366   2.650273   2.483790   3.042574
    22  H    7.394416   6.632482   4.229316   2.454996   3.116207
    23  H    6.990411   7.261422   5.084562   3.029514   2.585864
    24  H    7.640901   7.186116   4.992914   3.685855   3.771723
    25  H    5.232047   6.433514   4.933854   3.774794   2.592376
    26  H    4.375375   5.026946   3.927746   3.802326   3.129819
    27  H    6.119365   6.370694   4.842097   4.302715   3.774921
    28  H    2.305148   3.771622   5.494640   6.829430   6.566932
    29  C    3.774050   3.052301   5.138319   6.812385   7.044184
    30  H    4.771084   4.260088   6.065971   7.996323   7.954745
    31  H    4.483093   2.496731   4.681718   6.597671   7.098144
    32  H    4.483052   3.953849   6.169813   7.899865   8.091160
    33  H    3.593849   3.571464   5.283178   6.600450   6.753754
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.488558   0.000000
    23  H    3.058096   1.765746   0.000000
    24  H    2.492243   1.766627   1.764216   0.000000
    25  H    3.055516   3.797345   2.613355   3.126604   0.000000
    26  H    2.486016   4.327192   3.798872   3.761411   1.765342
    27  H    2.486548   3.757016   3.123016   2.544851   1.765000
    28  H    6.971468   8.888172   8.802795   9.163925   7.093359
    29  C    7.284177   9.037457   9.327446   9.643771   8.130815
    30  H    7.050134   9.448537   9.523880   9.267921   7.625865
    31  H    7.037923   8.765775   9.258809   9.456275   8.289378
    32  H    8.291490  10.108169  10.376588  10.666827   9.073740
    33  H    7.425838   8.945971   9.170393   9.676711   8.091600
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.765875   0.000000
    28  H    5.836897   7.583269   0.000000
    29  C    6.867505   8.523358   2.158874   0.000000
    30  H    5.951336   7.360877   3.370116   4.348470   0.000000
    31  H    6.982051   8.534812   3.065650   1.088629   4.612665
    32  H    7.765344   9.438922   2.494116   1.090855   4.422044
    33  H    7.019947   8.688782   2.503343   1.089933   5.261378
                   31         32         33
    31  H    0.000000
    32  H    1.762724   0.000000
    33  H    1.769763   1.772944   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.90D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.859135   -0.797445    1.307905
      2          6           0        1.475419   -0.773087    0.059735
      3          6           0       -0.519198   -0.667837    1.430715
      4          6           0       -1.322882   -0.517669    0.305982
      5          6           0       -0.712213   -0.493664   -0.948233
      6          6           0        0.663373   -0.619230   -1.065423
      7          6           0        2.970409   -0.867475   -0.082211
      8          6           0        3.653427    0.477889   -0.397780
      9          6           0        5.142776    0.265827   -0.664323
     10          6           0        3.434072    1.499169    0.716682
     11          6           0       -2.832871   -0.408434    0.441812
     12          6           0       -3.288620    0.891062   -0.193882
     13          8           0       -3.674162    1.023041   -1.326622
     14          8           0       -3.185052    1.931949    0.663544
     15          1           0        1.465467   -0.914551    2.198032
     16          1           0       -0.973985   -0.684881    2.413842
     17          1           0       -1.317893   -0.368693   -1.836932
     18          1           0        1.116639   -0.598906   -2.049722
     19          1           0        3.214767   -1.574910   -0.879790
     20          1           0        3.401771   -1.271409    0.838508
     21          1           0        3.194988    0.870891   -1.312084
     22          1           0        5.304831   -0.437524   -1.483935
     23          1           0        5.641346   -0.134788    0.222807
     24          1           0        5.634047    1.205490   -0.924389
     25          1           0        3.868992    1.144050    1.655622
     26          1           0        2.373464    1.684234    0.888790
     27          1           0        3.908029    2.451247    0.470321
     28          1           0       -3.064982   -0.343640    1.505550
     29          6           0       -3.561082   -1.603695   -0.175784
     30          1           0       -3.441613    2.729075    0.173539
     31          1           0       -3.372170   -1.659027   -1.246468
     32          1           0       -4.638896   -1.523016   -0.028230
     33          1           0       -3.211554   -2.526025    0.287996
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3245287           0.2608361           0.2514997
 Leave Link  202 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   480 symmetry adapted cartesian basis functions of A   symmetry.
 There are   450 symmetry adapted basis functions of A   symmetry.
   450 basis functions,   666 primitive gaussians,   480 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       972.9962246704 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0239735033 Hartrees.
 Nuclear repulsion after empirical dispersion term =      972.9722511672 Hartrees.
 Leave Link  301 at Wed Sep  8 12:29:39 2021, MaxMem=  6442450944 cpu:               7.0 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   450 RedAO= T EigKep=  4.08D-06  NBF=   450
 NBsUse=   450 1.00D-06 EigRej= -1.00D+00 NBFU=   450
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   478   478   478   478   478 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep  8 12:29:40 2021, MaxMem=  6442450944 cpu:               7.7 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep  8 12:29:41 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer03_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:               8.3 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441981585 LenY=  6441750705
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.060857315284    
 DIIS: error= 4.62D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.060857315284     IErMin= 1 ErrMin= 4.62D-03
 ErrMax= 4.62D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.59D-02 BMatP= 1.59D-02
 IDIUse=3 WtCom= 9.54D-01 WtEn= 4.62D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.364 Goal=   None    Shift=    0.000
 GapD=    0.364 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.46D-03 MaxDP=4.20D-01              OVMax= 1.35D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.10D-03    CP:  1.07D+00
 E= -656.073668846394     Delta-E=       -0.012811531110 Rises=F Damp=F
 DIIS: error= 5.79D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.073668846394     IErMin= 2 ErrMin= 5.79D-04
 ErrMax= 5.79D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.40D-04 BMatP= 1.59D-02
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.79D-03
 Coeff-Com: -0.201D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.199D-01 0.102D+01
 Gap=     0.362 Goal=   None    Shift=    0.000
 RMSDP=1.37D-03 MaxDP=6.59D-02 DE=-1.28D-02 OVMax= 6.62D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.82D-04    CP:  1.10D+00  1.09D+00
 E= -656.074102828852     Delta-E=       -0.000433982458 Rises=F Damp=F
 DIIS: error= 4.46D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -656.074102828852     IErMin= 3 ErrMin= 4.46D-04
 ErrMax= 4.46D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.06D-04 BMatP= 4.40D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.46D-03
 Coeff-Com: -0.439D-01 0.466D+00 0.578D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.438D-01 0.464D+00 0.580D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=1.17D-04 MaxDP=4.44D-03 DE=-4.34D-04 OVMax= 2.57D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.81D-05    CP:  1.10D+00  1.10D+00  1.02D+00
 E= -656.074317952806     Delta-E=       -0.000215123953 Rises=F Damp=F
 DIIS: error= 9.10D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.074317952806     IErMin= 4 ErrMin= 9.10D-05
 ErrMax= 9.10D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.32D-06 BMatP= 3.06D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.117D-01 0.611D-01 0.148D+00 0.803D+00
 Coeff:     -0.117D-01 0.611D-01 0.148D+00 0.803D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=4.33D-05 MaxDP=2.22D-03 DE=-2.15D-04 OVMax= 7.35D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.15D-05    CP:  1.10D+00  1.10D+00  1.05D+00  1.19D+00
 E= -656.074326029839     Delta-E=       -0.000008077033 Rises=F Damp=F
 DIIS: error= 4.77D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.074326029839     IErMin= 5 ErrMin= 4.77D-05
 ErrMax= 4.77D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.00D-06 BMatP= 9.32D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.124D-02-0.349D-01-0.287D-01 0.311D+00 0.751D+00
 Coeff:      0.124D-02-0.349D-01-0.287D-01 0.311D+00 0.751D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=2.05D-05 MaxDP=7.70D-04 DE=-8.08D-06 OVMax= 2.88D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.23D-05    CP:  1.10D+00  1.10D+00  1.07D+00  1.18D+00  9.66D-01
 E= -656.074327973131     Delta-E=       -0.000001943292 Rises=F Damp=F
 DIIS: error= 9.14D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.074327973131     IErMin= 6 ErrMin= 9.14D-06
 ErrMax= 9.14D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.85D-08 BMatP= 2.00D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.909D-03-0.150D-01-0.163D-01 0.777D-01 0.269D+00 0.684D+00
 Coeff:      0.909D-03-0.150D-01-0.163D-01 0.777D-01 0.269D+00 0.684D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=4.77D-06 MaxDP=2.24D-04 DE=-1.94D-06 OVMax= 9.13D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.39D-06    CP:  1.10D+00  1.10D+00  1.07D+00  1.19D+00  9.99D-01
                    CP:  9.87D-01
 E= -656.074328057101     Delta-E=       -0.000000083970 Rises=F Damp=F
 DIIS: error= 3.74D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.074328057101     IErMin= 7 ErrMin= 3.74D-06
 ErrMax= 3.74D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.37D-08 BMatP= 9.85D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.291D-03-0.295D-02-0.433D-02-0.278D-02 0.356D-01 0.337D+00
 Coeff-Com:  0.637D+00
 Coeff:      0.291D-03-0.295D-02-0.433D-02-0.278D-02 0.356D-01 0.337D+00
 Coeff:      0.637D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=1.85D-06 MaxDP=1.05D-04 DE=-8.40D-08 OVMax= 7.09D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.18D-06    CP:  1.10D+00  1.10D+00  1.07D+00  1.18D+00  1.01D+00
                    CP:  1.04D+00  1.05D+00
 E= -656.074328080423     Delta-E=       -0.000000023322 Rises=F Damp=F
 DIIS: error= 1.31D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.074328080423     IErMin= 8 ErrMin= 1.31D-06
 ErrMax= 1.31D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.33D-09 BMatP= 2.37D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.383D-04 0.134D-02 0.116D-02-0.128D-01-0.293D-01-0.896D-02
 Coeff-Com:  0.228D+00 0.820D+00
 Coeff:     -0.383D-04 0.134D-02 0.116D-02-0.128D-01-0.293D-01-0.896D-02
 Coeff:      0.228D+00 0.820D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=9.65D-07 MaxDP=3.97D-05 DE=-2.33D-08 OVMax= 2.20D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.41D-07    CP:  1.10D+00  1.10D+00  1.07D+00  1.18D+00  1.01D+00
                    CP:  1.06D+00  1.10D+00  1.03D+00
 E= -656.074328083033     Delta-E=       -0.000000002610 Rises=F Damp=F
 DIIS: error= 3.61D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.074328083033     IErMin= 9 ErrMin= 3.61D-07
 ErrMax= 3.61D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.26D-10 BMatP= 2.33D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.494D-04 0.944D-03 0.991D-03-0.586D-02-0.173D-01-0.416D-01
 Coeff-Com:  0.467D-01 0.369D+00 0.647D+00
 Coeff:     -0.494D-04 0.944D-03 0.991D-03-0.586D-02-0.173D-01-0.416D-01
 Coeff:      0.467D-01 0.369D+00 0.647D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=2.10D-07 MaxDP=9.43D-06 DE=-2.61D-09 OVMax= 8.29D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.41D-07    CP:  1.10D+00  1.10D+00  1.07D+00  1.18D+00  1.01D+00
                    CP:  1.06D+00  1.14D+00  1.00D+00  1.07D+00
 E= -656.074328083430     Delta-E=       -0.000000000397 Rises=F Damp=F
 DIIS: error= 1.07D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.074328083430     IErMin=10 ErrMin= 1.07D-07
 ErrMax= 1.07D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.65D-11 BMatP= 3.26D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.110D-04 0.135D-03 0.157D-03-0.306D-03-0.175D-02-0.125D-01
 Coeff-Com: -0.103D-01 0.371D-02 0.203D+00 0.818D+00
 Coeff:     -0.110D-04 0.135D-03 0.157D-03-0.306D-03-0.175D-02-0.125D-01
 Coeff:     -0.103D-01 0.371D-02 0.203D+00 0.818D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=7.48D-08 MaxDP=2.80D-06 DE=-3.97D-10 OVMax= 2.56D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.89D-08    CP:  1.10D+00  1.10D+00  1.07D+00  1.18D+00  1.01D+00
                    CP:  1.06D+00  1.14D+00  1.02D+00  1.11D+00  1.02D+00
 E= -656.074328083505     Delta-E=       -0.000000000074 Rises=F Damp=F
 DIIS: error= 4.70D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -656.074328083505     IErMin=11 ErrMin= 4.70D-08
 ErrMax= 4.70D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.85D-12 BMatP= 2.65D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.244D-05-0.774D-04-0.781D-04 0.691D-03 0.175D-02 0.818D-03
 Coeff-Com: -0.886D-02-0.512D-01-0.681D-02 0.309D+00 0.755D+00
 Coeff:      0.244D-05-0.774D-04-0.781D-04 0.691D-03 0.175D-02 0.818D-03
 Coeff:     -0.886D-02-0.512D-01-0.681D-02 0.309D+00 0.755D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=2.93D-08 MaxDP=1.89D-06 DE=-7.41D-11 OVMax= 1.00D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.96D-08    CP:  1.10D+00  1.10D+00  1.07D+00  1.18D+00  1.01D+00
                    CP:  1.06D+00  1.14D+00  1.02D+00  1.14D+00  1.04D+00
                    CP:  9.31D-01
 E= -656.074328083498     Delta-E=        0.000000000006 Rises=F Damp=F
 DIIS: error= 1.43D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -656.074328083505     IErMin=12 ErrMin= 1.43D-08
 ErrMax= 1.43D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.77D-13 BMatP= 3.85D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.197D-05-0.401D-04-0.420D-04 0.261D-03 0.767D-03 0.162D-02
 Coeff-Com: -0.117D-02-0.174D-01-0.238D-01 0.396D-02 0.244D+00 0.792D+00
 Coeff:      0.197D-05-0.401D-04-0.420D-04 0.261D-03 0.767D-03 0.162D-02
 Coeff:     -0.117D-02-0.174D-01-0.238D-01 0.396D-02 0.244D+00 0.792D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=1.08D-08 MaxDP=4.05D-07 DE= 6.37D-12 OVMax= 3.33D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  7.61D-09    CP:  1.10D+00  1.10D+00  1.07D+00  1.18D+00  1.01D+00
                    CP:  1.06D+00  1.14D+00  1.01D+00  1.14D+00  1.05D+00
                    CP:  9.99D-01  1.02D+00
 E= -656.074328083482     Delta-E=        0.000000000016 Rises=F Damp=F
 DIIS: error= 6.00D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -656.074328083505     IErMin=13 ErrMin= 6.00D-09
 ErrMax= 6.00D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.30D-14 BMatP= 3.77D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.211D-06-0.617D-06-0.524D-06-0.200D-04-0.261D-04 0.232D-03
 Coeff-Com:  0.864D-03 0.191D-02-0.422D-02-0.367D-01-0.357D-01 0.173D+00
 Coeff-Com:  0.901D+00
 Coeff:      0.211D-06-0.617D-06-0.524D-06-0.200D-04-0.261D-04 0.232D-03
 Coeff:      0.864D-03 0.191D-02-0.422D-02-0.367D-01-0.357D-01 0.173D+00
 Coeff:      0.901D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=3.70D-09 MaxDP=1.49D-07 DE= 1.57D-11 OVMax= 1.63D-07

 SCF Done:  E(RwB97XD) =  -656.074328083     A.U. after   13 cycles
            NFock= 13  Conv=0.37D-08     -V/T= 2.0113
 KE= 6.487247943332D+02 PE=-3.468357399404D+03 EE= 1.190586025820D+03
 Leave Link  502 at Wed Sep  8 12:38:02 2021, MaxMem=  6442450944 cpu:            3989.6 elap:             499.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   450
 NBasis=   450 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    450 NOA=    56 NOB=    56 NVA=   394 NVB=   394

 **** Warning!!: The largest alpha MO coefficient is  0.52420677D+02

 Leave Link  801 at Wed Sep  8 12:38:03 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10066 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.68D-13 8.33D-09 XBig12= 1.00D+00 4.13D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.68D-13 8.33D-09 XBig12= 2.22D-01 8.61D-02.
     11 vectors produced by pass  2 Test12= 3.68D-13 8.33D-09 XBig12= 4.75D-02 9.61D-02.
     11 vectors produced by pass  3 Test12= 3.68D-13 8.33D-09 XBig12= 5.56D-03 2.36D-02.
     11 vectors produced by pass  4 Test12= 3.68D-13 8.33D-09 XBig12= 8.08D-04 7.82D-03.
     11 vectors produced by pass  5 Test12= 3.68D-13 8.33D-09 XBig12= 8.37D-05 1.45D-03.
     11 vectors produced by pass  6 Test12= 3.68D-13 8.33D-09 XBig12= 4.20D-06 3.11D-04.
     11 vectors produced by pass  7 Test12= 3.68D-13 8.33D-09 XBig12= 2.19D-07 5.61D-05.
     11 vectors produced by pass  8 Test12= 3.68D-13 8.33D-09 XBig12= 7.63D-09 1.09D-05.
     11 vectors produced by pass  9 Test12= 3.68D-13 8.33D-09 XBig12= 2.70D-10 2.05D-06.
     11 vectors produced by pass 10 Test12= 3.68D-13 8.33D-09 XBig12= 8.74D-12 3.50D-07.
      8 vectors produced by pass 11 Test12= 3.68D-13 8.33D-09 XBig12= 2.12D-13 5.60D-08.
      1 vectors produced by pass 12 Test12= 3.68D-13 8.33D-09 XBig12= 1.80D-14 1.11D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   130 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.215790D+03
      2 -0.843033D+00  0.132326D+03
      3  0.605173D+00 -0.101837D+00  0.151693D+03
 Isotropic polarizability for W=    0.088559      166.60 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.231668D+03  0.369214D+02 -0.744709D+02
      2  -0.125425D+03 -0.784811D+01  0.333303D+02
      3  -0.106243D+03 -0.290733D+02  0.411406D+02
      4  -0.417728D+02  0.611083D+02  0.101749D+02
      5  -0.466855D+02  0.667684D+01  0.889222D+02
      6   0.680823D+01  0.113931D+02 -0.500153D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.697551D+01 -0.186216D+01  0.232403D+02
      2  -0.433425D+02  0.469557D+01  0.413903D+02
      3  -0.973456D+02 -0.334073D+02 -0.174613D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.349804D+01 -0.219371D+02  0.209421D+02
      2  -0.277854D+02  0.336665D+01  0.195166D+03
      3  -0.786941D+02 -0.186533D+03  0.131388D+00
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.600211D+00  0.508584D+01  0.113073D+02
      2   0.508584D+01 -0.351916D+01 -0.916737D+00
      3   0.113073D+02 -0.916737D+00 -0.110713D+01
 OR G Eigenvalues:   -13.3927    -2.3830    11.7496  Iso=     1.3420
 Eigenvectors:
   (1)   0.659680  -0.398938  -0.636922
   (2)   0.121317   0.892894  -0.433615
   (3)   0.741690   0.208778   0.637423
 w=    0.088559 a.u., Optical Rotation Beta=      1.3420 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      329.89 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  101475 ScalPx= 5.58D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.17D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.13D-14 2.78D-09 XBig12= 1.00D+00 3.55D-01.
     30 vectors produced by pass  1 Test12= 6.13D-14 2.78D-09 XBig12= 6.31D-02 5.82D-02.
     30 vectors produced by pass  2 Test12= 6.13D-14 2.78D-09 XBig12= 3.97D-03 1.06D-02.
     30 vectors produced by pass  3 Test12= 6.13D-14 2.78D-09 XBig12= 8.84D-05 1.80D-03.
     30 vectors produced by pass  4 Test12= 6.13D-14 2.78D-09 XBig12= 2.72D-06 2.35D-04.
     30 vectors produced by pass  5 Test12= 6.13D-14 2.78D-09 XBig12= 3.43D-08 2.44D-05.
     30 vectors produced by pass  6 Test12= 6.13D-14 2.78D-09 XBig12= 3.94D-10 2.12D-06.
     30 vectors produced by pass  7 Test12= 6.13D-14 2.78D-09 XBig12= 5.44D-12 2.76D-07.
     29 vectors produced by pass  8 Test12= 6.13D-14 2.78D-09 XBig12= 6.25D-14 2.46D-08.
      8 vectors produced by pass  9 Test12= 6.13D-14 2.78D-09 XBig12= 5.53D-15 8.23D-09.
      6 vectors produced by pass 10 Test12= 6.13D-14 2.78D-09 XBig12= 5.63D-15 5.50D-09.
      6 vectors produced by pass 11 Test12= 6.13D-14 2.78D-09 XBig12= 1.75D-14 1.02D-08.
      4 vectors produced by pass 12 Test12= 6.13D-14 2.78D-09 XBig12= 9.20D-15 7.17D-09.
      4 vectors produced by pass 13 Test12= 6.13D-14 2.78D-09 XBig12= 1.23D-14 7.45D-09.
      4 vectors produced by pass 14 Test12= 6.13D-14 2.78D-09 XBig12= 9.43D-15 5.93D-09.
      4 vectors produced by pass 15 Test12= 6.13D-14 2.78D-09 XBig12= 7.90D-15 5.96D-09.
      4 vectors produced by pass 16 Test12= 6.13D-14 2.78D-09 XBig12= 9.76D-15 6.28D-09.
      4 vectors produced by pass 17 Test12= 6.13D-14 2.78D-09 XBig12= 8.47D-15 6.27D-09.
      3 vectors produced by pass 18 Test12= 6.13D-14 2.78D-09 XBig12= 6.34D-15 5.26D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.67D-15
 Solved reduced A of dimension   316 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 2.34D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 2.34D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.04D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.215790D+03 -0.843033D+00  0.605173D+00
      2  -0.843033D+00  0.132326D+03 -0.101837D+00
      3   0.605173D+00 -0.101837D+00  0.151693D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.697551D+01 -0.186216D+01  0.232403D+02
      2  -0.433425D+02  0.469557D+01  0.413903D+02
      3  -0.973456D+02 -0.334073D+02 -0.174613D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.231668D+03  0.369214D+02 -0.744709D+02
      2  -0.125425D+03 -0.784811D+01  0.333303D+02
      3  -0.106243D+03 -0.290733D+02  0.411406D+02
      4  -0.417728D+02  0.611083D+02  0.101749D+02
      5  -0.466855D+02  0.667684D+01  0.889222D+02
      6   0.680823D+01  0.113931D+02 -0.500153D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.108945D+02  0.585052D+00  0.193903D+00  0.152429D+01  0.211521D+01
      2   0.585052D+00  0.119714D+01 -0.909822D-01  0.211521D+01 -0.169811D+01
      3   0.193903D+00 -0.909822D-01  0.330328D+01  0.635453D+00  0.342338D+01
                 6             7             8             9            10 
      1   0.635453D+00  0.136017D+02  0.541180D+00 -0.116604D+01  0.299041D+02
      2   0.342338D+01  0.541180D+00  0.134259D+01  0.397696D+00  0.107206D+01
      3  -0.442666D+00 -0.116604D+01  0.397696D+00  0.239757D+00 -0.153724D+01
                11            12            13            14            15 
      1   0.107206D+01 -0.153724D+01 -0.173429D+01  0.490691D+01  0.563911D+00
      2   0.143698D+01 -0.251369D+00  0.490691D+01 -0.103154D+01 -0.234959D+00
      3  -0.251369D+00  0.316487D+01  0.563911D+00 -0.234959D+00 -0.682285D+00
                16            17            18            19            20 
      1  -0.340285D+01  0.417196D+00  0.552171D+00  0.130474D+02 -0.562594D+00
      2   0.417196D+00 -0.383447D+00 -0.746342D+00 -0.562594D+00 -0.130080D+01
      3   0.552171D+00 -0.746342D+00  0.852830D+00 -0.250714D+00  0.111985D+01
                21            22            23            24            25 
      1  -0.250714D+00 -0.804745D+00 -0.189782D+01  0.610948D+00  0.118532D+02
      2   0.111985D+01 -0.189782D+01 -0.379516D+00  0.358430D+01 -0.915828D+00
      3  -0.256948D+01  0.610948D+00  0.358430D+01  0.564571D+00  0.103422D+01
                26            27            28            29            30 
      1  -0.915828D+00  0.103422D+01 -0.273426D+02 -0.191177D+00  0.436970D+00
      2   0.197060D+01  0.237204D+00 -0.191177D+00 -0.133255D+01 -0.104739D+00
      3   0.237204D+00  0.904452D+00  0.436970D+00 -0.104739D+00 -0.261385D+01
                31            32            33            34            35 
      1   0.304757D+01 -0.535624D+01 -0.837765D-01  0.133145D+01 -0.137170D+00
      2  -0.535624D+01  0.557510D+00 -0.911651D-01 -0.137170D+00 -0.607777D+00
      3  -0.837765D-01 -0.911651D-01  0.167287D+00 -0.330197D+00 -0.471784D+00
                36            37            38            39            40 
      1  -0.330197D+00  0.881374D+01 -0.324027D+00 -0.375120D+00  0.178750D+00
      2  -0.471784D+00 -0.324027D+00 -0.111103D+01 -0.787890D+00 -0.171207D+01
      3   0.963491D+00 -0.375120D+00 -0.787890D+00 -0.248014D+01 -0.434998D+00
                41            42            43            44            45 
      1  -0.171207D+01 -0.434998D+00 -0.133631D+02  0.588600D+00  0.705759D-01
      2   0.754015D+00 -0.298706D+01  0.588600D+00 -0.144320D+01  0.144697D-01
      3  -0.298706D+01  0.324576D-01  0.705759D-01  0.144697D-01 -0.116811D+01
                46            47            48            49            50 
      1  -0.105327D+02  0.644341D-01  0.538925D+00  0.205628D+01  0.142556D+01
      2   0.644341D-01  0.951291D+00  0.448061D-01  0.142556D+01 -0.414727D+00
      3   0.538925D+00  0.448061D-01  0.122820D+01 -0.696394D+00 -0.343826D+01
                51            52            53            54            55 
      1  -0.696394D+00 -0.108560D+02 -0.271276D+00 -0.205166D+00 -0.138495D+02
      2  -0.343826D+01 -0.271276D+00 -0.158841D+01 -0.703329D-02 -0.210134D+01
      3  -0.805471D+00 -0.205166D+00 -0.703329D-02 -0.108505D+01  0.494952D+00
                56            57            58            59            60 
      1  -0.210134D+01  0.494952D+00 -0.731301D+01 -0.690691D+01  0.454669D+00
      2  -0.276395D+01  0.398515D+00 -0.690691D+01  0.534081D-01  0.148058D+01
      3   0.398515D+00 -0.198004D+01  0.454669D+00  0.148058D+01  0.298664D+01
                61            62            63            64            65 
      1   0.438921D+01  0.552948D+00 -0.380213D+01 -0.188353D+00  0.239423D+01
      2   0.552948D+00  0.192929D+01  0.378457D+01  0.239423D+01  0.332057D+01
      3  -0.380213D+01  0.378457D+01 -0.959440D+00  0.249066D+01 -0.852948D+00
                66            67            68            69            70 
      1   0.249066D+01  0.115047D+02  0.631789D+01 -0.180000D+01  0.569326D+00
      2  -0.852948D+00  0.631789D+01  0.110471D+01 -0.176375D+01 -0.115556D+01
      3   0.233604D+01 -0.180000D+01 -0.176375D+01 -0.325756D+01  0.339175D+01
                71            72            73            74            75 
      1  -0.115556D+01  0.339175D+01  0.450384D+01 -0.143685D+01 -0.233308D+01
      2  -0.210476D+01 -0.354473D+01 -0.143685D+01 -0.326251D+01  0.113417D+01
      3  -0.354473D+01  0.293640D+01 -0.233308D+01  0.113417D+01 -0.229025D+01
                76            77            78            79            80 
      1  -0.350029D+01 -0.522048D+01  0.146372D+01 -0.216218D+01  0.122355D+01
      2  -0.522048D+01 -0.209913D+01  0.293407D+01  0.122355D+01  0.267033D+01
      3   0.146372D+01  0.293407D+01  0.338429D+01 -0.350970D+01  0.360474D+01
                81            82            83            84            85 
      1  -0.350970D+01  0.544120D+01 -0.226716D+01 -0.174760D+01 -0.385905D+01
      2   0.360474D+01 -0.226716D+01 -0.308573D+01  0.768791D+00 -0.395332D+01
      3  -0.644635D-01 -0.174760D+01  0.768791D+00 -0.205390D+01  0.130842D+01
                86            87            88            89            90 
      1  -0.395332D+01  0.130842D+01 -0.162405D+01  0.113693D+01 -0.248142D+01
      2  -0.365125D+01  0.194471D+01  0.113693D+01  0.303011D+01  0.259880D+01
      3   0.194471D+01  0.279419D+01 -0.248142D+01  0.259880D+01 -0.292828D+01
                91            92            93            94            95 
      1   0.386569D+01  0.253758D+01 -0.319906D+00  0.336746D+00  0.616226D+01
      2   0.253758D+01  0.215237D+01  0.761404D+00  0.616226D+01 -0.198184D+01
      3  -0.319906D+00  0.761404D+00  0.102317D+01  0.542292D+00  0.140380D+01
                96            97            98            99           100 
      1   0.542292D+00  0.334100D+01  0.447008D+00  0.146722D+01  0.304115D+01
      2   0.140380D+01  0.447008D+00  0.305936D+01 -0.309663D+00 -0.127971D+01
      3  -0.260624D+00  0.146722D+01 -0.309663D+00 -0.471698D+01  0.212360D+01
               101           102           103           104           105 
      1  -0.127971D+01  0.212360D+01 -0.115127D+01 -0.139093D+01 -0.510900D+00
      2  -0.837604D-01 -0.681371D+00 -0.139093D+01  0.269001D+01 -0.169936D+01
      3  -0.681371D+00  0.897998D+00 -0.510900D+00 -0.169936D+01 -0.460411D+00
               106           107           108           109           110 
      1   0.309005D+01 -0.162605D+01  0.222180D+01 -0.497886D+01  0.971788D+00
      2  -0.162605D+01 -0.454342D-01 -0.140424D+01  0.971788D+00 -0.113074D+01
      3   0.222180D+01 -0.140424D+01  0.461901D+01 -0.387926D+01  0.465748D+00
               111           112           113           114           115 
      1  -0.387926D+01  0.822202D+00 -0.130750D+01  0.710527D+00 -0.834701D+01
      2   0.465748D+00 -0.130750D+01  0.497654D+00 -0.175391D+01  0.243433D+01
      3  -0.219306D+01  0.710527D+00 -0.175391D+01  0.985652D+00 -0.432173D+01
               116           117           118           119           120 
      1   0.243433D+01 -0.432173D+01  0.632542D+00  0.349026D+00  0.118211D+01
      2  -0.387459D+01  0.150026D+01  0.349026D+00  0.207018D+01 -0.195312D+00
      3   0.150026D+01 -0.927571D+01  0.118211D+01 -0.195312D+00  0.146760D+00
               121           122           123           124           125 
      1   0.115769D+01  0.148176D+01 -0.595561D+00  0.329483D+01 -0.197478D+01
      2   0.148176D+01 -0.326333D+01  0.291396D+01 -0.197478D+01  0.553858D+01
      3  -0.595561D+00  0.291396D+01  0.333317D+00 -0.446549D+00  0.178529D+01
               126           127           128           129           130 
      1  -0.446549D+00  0.324371D+01 -0.388674D+00  0.263231D+01 -0.105637D+01
      2   0.178529D+01 -0.388674D+00  0.469900D+00 -0.527594D+00  0.129210D+00
      3   0.310123D+01  0.263231D+01 -0.527594D+00  0.275967D+01 -0.485914D+00
               131           132           133           134           135 
      1   0.129210D+00 -0.485914D+00  0.283923D+01 -0.444733D+00  0.327243D+01
      2  -0.148473D+00  0.145433D+00 -0.444733D+00  0.943546D+00 -0.992343D+00
      3   0.145433D+00 -0.610604D+00  0.327243D+01 -0.992343D+00  0.650346D+01
               136           137           138           139           140 
      1  -0.218971D+01 -0.784501D-01  0.223389D+01  0.177428D+00  0.667682D-01
      2  -0.784501D-01 -0.201574D+00  0.540171D-01  0.667682D-01 -0.778214D-01
      3   0.223389D+01  0.540171D-01 -0.256181D+01 -0.860238D-01  0.356056D-01
               141           142           143           144           145 
      1  -0.860238D-01  0.220876D+01  0.240458D+00 -0.298320D+01 -0.372909D+01
      2   0.356056D-01  0.240458D+00  0.854718D+00 -0.529416D+00  0.556449D+00
      3  -0.269676D+00 -0.298320D+01 -0.529416D+00  0.829953D+01 -0.208297D+01
               146           147           148           149           150 
      1   0.556449D+00 -0.208297D+01  0.888130D+00 -0.156509D+00  0.428793D+00
      2  -0.518073D+00  0.224593D+00 -0.156509D+00  0.162270D+00 -0.120784D+00
      3   0.224593D+00 -0.193415D+01  0.428793D+00 -0.120784D+00  0.498849D+00
               151           152           153           154           155 
      1  -0.252580D+01  0.181888D+00 -0.276654D+01  0.226492D+01  0.527568D-01
      2   0.181888D+00 -0.796958D+00  0.391688D+00  0.527568D-01  0.235135D+00
      3  -0.276654D+01  0.391688D+00 -0.546299D+01 -0.211191D+01  0.169332D+00
               156           157           158           159           160 
      1  -0.211191D+01 -0.217981D+00 -0.496010D-01  0.102662D+00 -0.242625D+01
      2   0.169332D+00 -0.496010D-01 -0.598670D-01 -0.802102D-01 -0.104072D+00
      3   0.228645D+01  0.102662D+00 -0.802102D-01  0.186026D+00  0.295120D+01
               161           162           163           164           165 
      1  -0.104072D+00  0.295120D+01  0.247925D+01 -0.108456D+01 -0.134373D+01
      2  -0.796859D+00 -0.142749D+00 -0.108456D+01  0.133165D+01  0.506488D+00
      3  -0.142749D+00 -0.766587D+01 -0.134373D+01  0.506488D+00  0.737163D+00
               166           167           168           169           170 
      1  -0.156645D+01  0.233976D+01  0.910470D+00 -0.584568D+01  0.907643D+00
      2   0.233976D+01 -0.406725D+01 -0.225731D+01  0.907643D+00 -0.317130D+01
      3   0.910470D+00 -0.225731D+01 -0.186642D+01  0.233140D+01 -0.253021D+01
               171           172           173           174           175 
      1   0.233140D+01  0.254083D+01 -0.839071D+00  0.162757D+01 -0.204094D+00
      2  -0.253021D+01 -0.839071D+00  0.148044D+01 -0.689296D+00  0.161192D+01
      3  -0.291269D+01  0.162757D+01 -0.689296D+00  0.128861D+01 -0.574179D+00
               176           177           178           179           180 
      1   0.161192D+01 -0.574179D+00  0.439063D+01 -0.801836D+00  0.191481D+01
      2  -0.180035D+01  0.107315D+01 -0.801836D+00  0.202864D+01 -0.203897D+01
      3   0.107315D+01 -0.119235D+01  0.191481D+01 -0.203897D+01  0.345239D+01
               181           182           183           184           185 
      1  -0.181305D+01 -0.990116D-01 -0.160734D+01 -0.455067D+00 -0.956127D+00
      2  -0.990116D-01 -0.122048D+01  0.458189D+00 -0.956127D+00  0.138235D+01
      3  -0.160734D+01  0.458189D+00 -0.143477D+01  0.254972D+00 -0.105558D+01
               186           187           188           189           190 
      1   0.254972D+00 -0.272072D+01  0.153227D+00 -0.976127D+00  0.756049D+00
      2  -0.105558D+01  0.153227D+00 -0.138346D+01  0.176621D+01 -0.886350D+00
      3   0.192574D+01 -0.976127D+00  0.176621D+01 -0.517220D+01 -0.956949D+00
               191           192           193           194           195 
      1  -0.886350D+00 -0.956949D+00 -0.232650D+01  0.183082D+01  0.129749D+01
      2   0.746102D+00  0.398707D+00  0.183082D+01 -0.283717D+01 -0.241804D+01
      3   0.398707D+00  0.103037D+01  0.129749D+01 -0.241804D+01 -0.287260D+01
               196           197           198           199           200 
      1  -0.262734D+01  0.955685D+00  0.255805D+01  0.344568D+01 -0.805596D+00
      2   0.955685D+00 -0.257117D+01 -0.255557D+01 -0.805596D+00  0.108675D+01
      3   0.255805D+01 -0.255557D+01 -0.462189D+01  0.182767D+01 -0.588396D+00
               201           202           203           204           205 
      1   0.182767D+01 -0.172316D+01  0.164328D+01 -0.784839D+00  0.474048D+01
      2  -0.588396D+00  0.164328D+01 -0.110246D+01  0.635824D+00 -0.102107D+01
      3   0.165025D+01 -0.784839D+00  0.635824D+00 -0.140052D+01  0.254729D+01
               206           207           208           209           210 
      1  -0.102107D+01  0.254729D+01  0.403942D+01  0.262114D+01 -0.902258D+00
      2   0.129188D+01 -0.132463D+01  0.262114D+01  0.229945D+01 -0.760869D+00
      3  -0.132463D+01  0.355491D+01 -0.902258D+00 -0.760869D+00  0.943567D+00
               211           212           213           214           215 
      1   0.596386D+01  0.415922D+01 -0.159229D+01 -0.127003D+01 -0.959442D+00
      2   0.415922D+01  0.527581D+01 -0.152442D+01 -0.959442D+00 -0.130498D+01
      3  -0.159229D+01 -0.152442D+01  0.124649D+01  0.164061D+01  0.731251D+00
               216           217           218           219           220 
      1   0.164061D+01  0.136097D+01  0.173805D+00  0.172610D+01 -0.638394D+00
      2   0.731251D+00  0.173805D+00  0.102288D+01  0.170254D-01  0.599138D+00
      3  -0.109922D+01  0.172610D+01  0.170254D-01  0.227258D+01 -0.572949D+00
               221           222           223           224           225 
      1   0.599138D+00 -0.572949D+00  0.233880D+01  0.478936D-01  0.216963D+01
      2  -0.362182D+00  0.547274D+00  0.478936D-01  0.114115D+01 -0.172709D+00
      3   0.547274D+00 -0.172204D+01  0.216963D+01 -0.172709D+00  0.608281D+01
               226           227           228           229           230 
      1  -0.822796D+01  0.517530D+00  0.105038D+01  0.385772D+00 -0.109948D+01
      2   0.517530D+00 -0.202634D+01 -0.804090D+00 -0.109948D+01  0.119807D+01
      3   0.105038D+01 -0.804090D+00 -0.105937D+01 -0.495515D+00  0.101680D+00
               231           232           233           234           235 
      1  -0.495515D+00  0.110978D+01 -0.360713D+00 -0.528583D+00  0.215894D+01
      2   0.101680D+00 -0.360713D+00 -0.196776D-01  0.179215D+00  0.260166D+01
      3   0.990654D-01 -0.528583D+00  0.179215D+00  0.939837D+00  0.104187D+00
               236           237           238           239           240 
      1   0.260166D+01  0.104187D+00  0.287687D+01  0.373994D+01 -0.930119D-01
      2   0.317519D+01  0.678655D-01  0.373994D+01  0.836220D+01 -0.131988D+00
      3   0.678655D-01  0.787267D+00 -0.930119D-01 -0.131988D+00  0.812360D+00
               241           242           243           244           245 
      1  -0.860258D+00 -0.711452D+00  0.804821D+00  0.209278D+00 -0.423121D+00
      2  -0.711452D+00 -0.166715D+01  0.662686D+00 -0.423121D+00 -0.535961D+00
      3   0.804821D+00  0.662686D+00 -0.240124D+00  0.163430D+01 -0.109612D+00
               246           247           248           249           250 
      1   0.163430D+01 -0.439213D+00 -0.972495D+00 -0.100406D+00  0.293179D+01
      2  -0.109612D+00 -0.972495D+00  0.288626D+00  0.766182D+00 -0.532199D-01
      3  -0.118572D+01 -0.100406D+00  0.766182D+00  0.571969D-01 -0.198756D+01
               251           252           253           254           255 
      1  -0.532199D-01 -0.198756D+01  0.789418D+01 -0.759396D+00 -0.123649D+01
      2   0.123926D+01  0.505159D-01 -0.759396D+00 -0.350213D+01 -0.356934D-01
      3   0.505159D-01  0.625010D+01 -0.123649D+01 -0.356934D-01 -0.105345D+01
               256           257           258           259           260 
      1  -0.577951D+01 -0.419503D+01 -0.588445D+00 -0.418710D+01 -0.788582D+00
      2  -0.419503D+01  0.158125D+01 -0.247545D+01 -0.788582D+00 -0.339571D+01
      3  -0.588445D+00 -0.247545D+01  0.495590D+00 -0.125507D+01  0.113761D+01
               261           262           263           264           265 
      1  -0.125507D+01 -0.102415D+01  0.153801D+01  0.632643D-01  0.154489D+01
      2   0.113761D+01  0.153801D+01 -0.207802D+01  0.368449D-01 -0.267651D+01
      3   0.386352D+01  0.632643D-01  0.368449D-01 -0.291556D+00  0.162315D+00
               266           267           268           269           270 
      1  -0.267651D+01  0.162315D+00 -0.718365D+00  0.128670D+01 -0.426436D+00
      2   0.891050D+01 -0.319168D+00  0.128670D+01 -0.366029D+01  0.110084D+01
      3  -0.319168D+00  0.124032D+01 -0.426436D+00  0.110084D+01 -0.328955D+00
               271           272           273           274           275 
      1  -0.186885D+00  0.130612D+00 -0.600528D+00  0.562093D+00  0.277046D+00
      2   0.130612D+00  0.640308D+00  0.170279D+00  0.277046D+00 -0.541516D+00
      3  -0.600528D+00  0.170279D+00  0.381726D+00 -0.473707D-01 -0.578605D+00
               276           277           278           279           280 
      1  -0.473707D-01 -0.216485D+01 -0.560209D+00 -0.553230D+00 -0.147173D+02
      2  -0.578605D+00 -0.560209D+00 -0.178860D+01 -0.141616D+01 -0.197373D+01
      3  -0.735178D+00 -0.553230D+00 -0.141616D+01 -0.568366D+01  0.421678D+00
               281           282           283           284           285 
      1  -0.197373D+01  0.421678D+00  0.902215D+00 -0.904864D+00  0.804379D-01
      2  -0.155300D+01 -0.571783D-01 -0.904864D+00 -0.164207D+00  0.300609D+00
      3  -0.571783D-01 -0.997859D+00  0.804379D-01  0.300609D+00  0.834744D-01
               286           287           288           289           290 
      1   0.167467D+01  0.376756D+00 -0.122429D+01  0.317684D-01 -0.665319D+00
      2   0.376756D+00  0.615236D+00 -0.268123D+00 -0.665319D+00  0.209031D+01
      3  -0.122429D+01 -0.268123D+00 -0.137233D-01  0.502636D+00 -0.259279D+00
               291           292           293           294           295 
      1   0.502636D+00 -0.116011D+01 -0.508222D-01  0.155030D-01  0.139665D+01
      2  -0.259279D+00 -0.508222D-01 -0.713763D+01  0.163948D+01  0.393995D+00
      3   0.461418D+00  0.155030D-01  0.163948D+01 -0.131511D+01  0.360032D-01
               296           297 
      1   0.393995D+00  0.360032D-01
      2   0.294850D+01 -0.148835D+01
      3  -0.148835D+01  0.835623D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.261123D+01  0.190540D+01  0.223147D+01  0.922659D+01  0.151280D+01
      2   0.630433D+01 -0.135506D+01  0.335043D+01 -0.203619D+01 -0.653788D+00
      3   0.136860D+02 -0.174914D+01 -0.728167D+00  0.104862D+02 -0.299997D+00
                 6             7             8             9            10 
      1  -0.214102D+01 -0.659294D+00  0.246090D+01  0.379591D+00 -0.412822D+01
      2  -0.244391D+00 -0.855944D+01  0.511666D+00 -0.735834D+00 -0.150930D+02
      3  -0.535470D+01 -0.130659D+02 -0.188614D+01  0.551960D+00 -0.285861D+02
                11            12            13            14            15 
      1  -0.614780D+00  0.154986D+01  0.168971D+01  0.470903D+00 -0.101987D+02
      2  -0.131457D+00 -0.314838D+01  0.240524D+01 -0.219401D+01  0.114075D-01
      3  -0.129543D+00  0.769456D+00  0.100398D+02 -0.169934D+01  0.286544D+00
                16            17            18            19            20 
      1  -0.348856D+01 -0.258501D+01 -0.701445D+00 -0.285840D+01 -0.832804D+00
      2  -0.248227D+02 -0.286184D+01 -0.336515D+01 -0.770731D+01  0.164943D+00
      3   0.247768D+01  0.420901D+00  0.286702D+00 -0.121857D+02  0.354428D+00
                21            22            23            24            25 
      1  -0.120883D+01 -0.584608D+01  0.271302D+01  0.852373D+00 -0.404100D+00
      2   0.792170D+01 -0.171129D+01  0.514546D+00 -0.125614D+01 -0.102926D+02
      3  -0.576563D-01  0.119245D+02  0.844508D+00  0.379474D+01 -0.112021D+02
                26            27            28            29            30 
      1   0.329238D+01  0.107965D+01  0.174007D+01 -0.139241D+00 -0.267381D+01
      2   0.597541D+00  0.216041D+01  0.111906D+02  0.105885D+01 -0.401308D+01
      3   0.370090D+01 -0.129377D+01  0.240283D+02  0.300788D-01 -0.104528D+01
                31            32            33            34            35 
      1  -0.336764D+01  0.132663D+01 -0.102520D+02 -0.434330D+01 -0.198437D+01
      2  -0.315794D+00  0.322413D+01  0.130826D+01 -0.268111D+02  0.119686D+01
      3   0.590763D+01  0.395393D+01 -0.578444D+00 -0.593026D+00 -0.371480D+01
                36            37            38            39            40 
      1  -0.128718D+00 -0.116532D+01  0.684266D+00 -0.134866D+01  0.734719D+01
      2  -0.487662D+00 -0.968575D+01 -0.142138D+01  0.538306D+01 -0.872876D+00
      3   0.312404D+01 -0.910937D+01 -0.656808D+00  0.158211D+01  0.134546D+02
                41            42            43            44            45 
      1  -0.255889D+01 -0.303440D+01  0.288598D+01  0.160169D+01 -0.124855D+01
      2  -0.190884D+01  0.159005D+00  0.492505D+01  0.312967D+00 -0.385949D+01
      3   0.399735D+00 -0.378197D+01  0.131066D+02 -0.180585D+01 -0.160470D+01
                46            47            48            49            50 
      1   0.285530D+01 -0.117034D+01  0.168210D+01 -0.713395D+01 -0.192992D+01
      2   0.112601D+02  0.241032D+00  0.105660D+02 -0.120620D+01  0.102453D+01
      3   0.142759D+02 -0.830315D+00  0.691611D+00  0.121289D+02 -0.955976D+00
                51            52            53            54            55 
      1  -0.205002D+01  0.143603D+01  0.233767D+01 -0.478032D+00  0.316807D+01
      2  -0.199739D+01  0.344624D+01 -0.573312D-01  0.578721D+01  0.258995D+01
      3   0.371093D+01  0.116786D+02  0.975216D+00  0.781040D+00  0.151191D+02
                56            57            58            59            60 
      1   0.170511D+01 -0.114509D+01  0.486017D+01  0.395069D+01  0.164858D+01
      2   0.428311D+00 -0.348999D+01  0.125385D+01  0.558025D+01  0.132485D+02
      3   0.660454D+01 -0.105319D+01  0.356376D+02  0.734595D+01 -0.484027D+01
                61            62            63            64            65 
      1  -0.164805D+01  0.627673D+01 -0.168216D+01 -0.431179D+01 -0.111362D+01
      2  -0.221497D+02  0.137597D+02 -0.580863D+01  0.758151D+01 -0.267741D+01
      3  -0.705019D+01 -0.598906D+01 -0.899925D+01 -0.163553D+02 -0.175188D+02
                66            67            68            69            70 
      1  -0.148962D+01 -0.242141D+01 -0.834313D+00 -0.464566D-01  0.182051D+01
      2   0.140808D+02 -0.708422D+01 -0.582957D+01 -0.161890D+02  0.105753D+02
      3   0.476813D+01 -0.269099D+02 -0.528589D+01  0.536098D+01  0.920243D+01
                71            72            73            74            75 
      1   0.693579D+01 -0.516400D+00  0.164557D+01  0.197204D+01 -0.380091D+00
      2  -0.154531D+02  0.154064D+02 -0.856014D+01  0.515552D+01 -0.132811D+02
      3   0.771674D+01  0.150217D+02  0.848812D+01  0.164134D+02 -0.664732D+01
                76            77            78            79            80 
      1   0.359298D+01  0.868987D+00 -0.488450D+01 -0.139304D+00 -0.146481D+01
      2   0.610418D+01  0.128557D+02  0.212665D+02 -0.263309D+02  0.210817D+02
      3   0.336025D+02  0.105621D+02 -0.166259D+02 -0.667628D+01 -0.146993D+02
                81            82            83            84            85 
      1  -0.229962D+01  0.286497D+01 -0.422216D+01  0.460808D+01 -0.585437D+01
      2  -0.161867D+01 -0.133286D+02  0.610182D+01 -0.272204D+01  0.810618D+01
      3  -0.203749D+02  0.205911D+02  0.468165D+01 -0.714436D+01  0.124194D+02
                86            87            88            89            90 
      1  -0.938306D+01 -0.654459D+01  0.580741D+01 -0.696108D+00  0.837955D+01
      2   0.984551D+01  0.903033D+01 -0.833321D+01  0.830180D+01 -0.956467D+01
      3   0.736867D+01 -0.546759D+01 -0.843051D+01 -0.893150D+01 -0.124912D+02
                91            92            93            94            95 
      1   0.650436D+00  0.723385D+00  0.180966D+01  0.173832D+01 -0.823647D+00
      2  -0.396097D+01 -0.328936D+01  0.860899D+00  0.749601D+00 -0.872982D+01
      3   0.994378D-01  0.138471D+01  0.256568D+01  0.319498D+02 -0.103235D+02
                96            97            98            99           100 
      1  -0.322991D+01  0.234045D+01  0.456683D+01 -0.176468D+01 -0.945598D+00
      2   0.416299D+00 -0.156724D+02  0.169904D+01  0.166094D+02  0.484108D+01
      3   0.514581D+01 -0.254903D+01  0.934950D+01 -0.239357D+01  0.104162D+02
               101           102           103           104           105 
      1  -0.595326D+01 -0.326328D+01 -0.190542D+01  0.544282D-01  0.959727D+00
      2   0.454831D+00  0.376517D+01 -0.195257D+01  0.764806D+01  0.625296D+01
      3  -0.141845D+02 -0.166476D+01 -0.887591D+01  0.331573D+01 -0.302335D+01
               106           107           108           109           110 
      1  -0.619708D+01 -0.120493D+01 -0.424295D+01  0.404784D+01  0.367765D+01
      2  -0.600001D+01  0.579863D+01 -0.239075D+02  0.858510D+01 -0.120548D+01
      3  -0.628319D+01  0.770476D+01 -0.364247D+01 -0.312505D+01 -0.398984D+01
               111           112           113           114           115 
      1   0.277340D+01  0.780418D+00  0.545452D+00 -0.320621D+01  0.345393D+01
      2   0.887971D+01  0.307257D+00  0.594496D+01 -0.522242D+01  0.705815D+01
      3  -0.848864D+00 -0.982763D+00  0.322391D+01 -0.637793D+01  0.101417D+02
               116           117           118           119           120 
      1   0.869482D+01  0.109329D+02 -0.328601D+01  0.220077D+01 -0.472636D+00
      2  -0.426164D+01  0.363413D+02 -0.543090D+01  0.136347D+01  0.962131D+00
      3  -0.179418D+02  0.405556D+01  0.284635D+00  0.709241D+01  0.166079D+01
               121           122           123           124           125 
      1   0.250247D+00 -0.420800D+01 -0.377728D+01 -0.213240D+01  0.612385D+01
      2  -0.600570D+00 -0.102760D+02 -0.196196D+01 -0.206043D+01 -0.505303D+01
      3   0.732245D+01 -0.682950D+01  0.913737D+01 -0.364523D+01  0.164855D+02
               126           127           128           129           130 
      1  -0.809223D+01  0.206964D+01  0.200701D+01  0.189751D+01 -0.954359D+00
      2  -0.104635D+02 -0.572456D+01 -0.138238D+00 -0.946413D+00  0.145142D+01
      3   0.608871D+01 -0.305316D+01 -0.138026D+01 -0.176939D+01  0.235083D+01
               131           132           133           134           135 
      1  -0.572654D-01 -0.205423D+01  0.257320D+01  0.291213D+01  0.468757D+01
      2  -0.757642D-01 -0.114484D+00 -0.405726D+01 -0.153725D+00  0.145285D+01
      3   0.213578D+00  0.420422D+00 -0.264863D+01 -0.194186D+01 -0.190123D+01
               136           137           138           139           140 
      1   0.170925D+01 -0.168206D+01 -0.200564D+01  0.519589D+00  0.275569D-01
      2   0.470909D+01  0.314935D-01 -0.137858D+01 -0.429265D+00 -0.111212D+00
      3   0.152900D+01 -0.701819D+00 -0.159130D+01  0.989737D+00 -0.437475D-01
               141           142           143           144           145 
      1  -0.207752D+01 -0.186090D+01  0.380775D+01  0.513136D+01 -0.253170D+01
      2   0.346294D+00 -0.477941D+01 -0.159147D+00 -0.928281D+00 -0.783467D+01
      3  -0.165407D+00 -0.142447D+01  0.162514D+01  0.184745D+01  0.254239D+01
               146           147           148           149           150 
      1   0.264489D+01 -0.143229D+01  0.413763D+00 -0.420958D+00 -0.109744D+01
      2   0.123663D+01 -0.132648D+01  0.114652D+01 -0.147566D+00  0.297618D+00
      3  -0.150605D+01  0.137859D+01  0.413926D+00  0.429011D+00 -0.133136D+00
               151           152           153           154           155 
      1  -0.183470D+01  0.341765D+01 -0.334405D+01 -0.195702D+01 -0.158545D+01
      2  -0.391416D+01  0.122240D+00  0.130619D+01  0.469088D+01  0.434937D+00
      3   0.151062D+01 -0.220344D+01  0.192024D+01 -0.139589D+01 -0.780640D+00
               156           157           158           159           160 
      1   0.131751D+01  0.300355D+00 -0.111219D+00 -0.184668D+01  0.259763D+01
      2  -0.880016D+00 -0.165187D+00 -0.279302D+00  0.427809D-01 -0.436794D+01
      3   0.120752D+01  0.143130D+01  0.210168D+00 -0.152847D+00  0.190815D+01
               161           162           163           164           165 
      1   0.376902D+01 -0.518460D+01 -0.960086D+00 -0.117849D+00  0.134166D+01
      2  -0.357350D+00 -0.228736D+01 -0.487035D+01  0.142623D+01  0.412568D+01
      3   0.184133D+01 -0.171937D+01 -0.230342D+00 -0.419406D+01 -0.593651D-01
               166           167           168           169           170 
      1   0.503975D+00 -0.116683D+01 -0.343440D+01  0.257457D+01 -0.820437D+00
      2   0.222518D+01 -0.793261D+01 -0.710927D+01  0.574698D+01 -0.931284D+01
      3  -0.319426D+01  0.102231D+02  0.529443D+01  0.394196D+01  0.937566D+01
               171           172           173           174           175 
      1  -0.373415D+01  0.168587D+01 -0.201401D+00  0.188683D+01 -0.124779D+01
      2  -0.941663D+01  0.598972D+01 -0.247616D+01  0.610751D+01 -0.156786D+01
      3   0.516536D+01 -0.417793D+00 -0.510018D+01  0.637260D+00 -0.245908D+01
               176           177           178           179           180 
      1   0.824401D+00 -0.301947D+01  0.193201D+01 -0.423374D+00  0.494709D+01
      2   0.319502D+01 -0.467210D+01  0.278116D+01 -0.730575D+01  0.127881D+02
      3   0.399568D+01 -0.222243D+01 -0.271711D+01 -0.620161D+01  0.408027D+01
               181           182           183           184           185 
      1   0.248346D+01  0.147815D+01  0.137462D+01  0.591205D+00 -0.562063D+00
      2  -0.102721D+02  0.158204D+01 -0.647098D+01  0.111059D+01 -0.486624D+01
      3  -0.225176D+01  0.367697D+01 -0.278084D+01  0.574090D+01 -0.539437D+01
               186           187           188           189           190 
      1  -0.192128D+01  0.149970D+01  0.177590D+01  0.295501D+01  0.116577D+01
      2   0.714432D+01 -0.970489D+01  0.671453D+01 -0.208330D+02 -0.478847D+01
      3   0.428953D+01 -0.301885D+01  0.491735D+01 -0.818561D+01  0.474014D+01
               191           192           193           194           195 
      1  -0.935893D+00 -0.298113D+00 -0.144269D+01  0.381127D+01  0.998930D+00
      2   0.156772D+01  0.564076D+01  0.378388D+01 -0.117806D+02 -0.155908D+02
      3  -0.500342D+01 -0.255877D+01 -0.751691D+01  0.158290D+02  0.128692D+02
               196           197           198           199           200 
      1  -0.108610D+01  0.466597D+01  0.211348D+01  0.124697D+00 -0.284677D-01
      2   0.920416D+01 -0.135484D+02 -0.233940D+02  0.121051D+02 -0.393927D+01
      3  -0.427996D+01  0.146529D+02  0.139001D+02  0.476889D+01 -0.731679D+01
               201           202           203           204           205 
      1   0.491136D+00 -0.669001D+00 -0.540835D-01 -0.114584D+01 -0.222354D-01
      2   0.119304D+02 -0.494063D+01  0.449943D+01 -0.914297D+01  0.141310D+02
      3   0.355046D+01 -0.730109D+01  0.646434D+01 -0.344377D+01  0.548291D+01
               206           207           208           209           210 
      1   0.146532D+01  0.678713D+00 -0.184940D+01 -0.188770D+01 -0.526603D+00
      2  -0.813094D+01  0.225736D+02 -0.170235D+01 -0.224203D+01  0.638187D+01
      3  -0.822975D+01  0.760219D+01 -0.123818D+02 -0.139057D+02  0.410051D+01
               211           212           213           214           215 
      1  -0.226244D+01 -0.426818D+01 -0.140436D+01 -0.400894D-02  0.171781D+01
      2  -0.408336D+01 -0.548476D+01  0.683129D+01  0.680305D+01  0.300337D+01
      3  -0.184138D+02 -0.292301D+02  0.782161D+01  0.467088D+01  0.738235D+01
               216           217           218           219           220 
      1   0.337422D+00 -0.331758D+01  0.177962D+01 -0.415827D+01  0.138964D+01
      2  -0.488697D+01  0.472672D+01  0.246227D+00  0.775653D+01 -0.484566D+00
      3  -0.335841D+01  0.535803D+00 -0.462925D+01  0.209295D+01 -0.184800D+01
               221           222           223           224           225 
      1  -0.215546D+01  0.271582D+01 -0.397600D+01  0.447172D+01 -0.116117D+02
      2   0.145967D+01 -0.657161D+01  0.236999D+01 -0.745017D+00  0.202900D+02
      3   0.274339D+01 -0.242585D+01  0.308681D+01 -0.505904D+01  0.327565D+01
               226           227           228           229           230 
      1  -0.331049D+01 -0.984374D+00  0.233021D+01 -0.370941D+00  0.446591D+00
      2   0.139436D+02 -0.281610D+01 -0.332999D+01 -0.187740D+01  0.154750D+01
      3  -0.209027D+02  0.579423D+01  0.486380D+01  0.614929D+01 -0.493210D+01
               231           232           233           234           235 
      1  -0.430912D+00  0.244008D+01  0.144203D+01 -0.153668D+01  0.172303D+01
      2  -0.420350D-01 -0.583852D+01  0.372867D+00  0.311736D+01 -0.113593D+01
      3  -0.117976D+01  0.386474D+01 -0.130150D+00 -0.186283D+01 -0.566481D+01
               236           237           238           239           240 
      1   0.276704D+01 -0.283620D+01  0.411104D+01  0.720682D+01 -0.436631D+01
      2  -0.154985D+01  0.397005D+01 -0.300225D+01 -0.344480D+01  0.407292D+01
      3  -0.922938D+01 -0.264687D+00 -0.545417D+01 -0.257731D+02  0.612909D-02
               241           242           243           244           245 
      1  -0.201516D+01 -0.133501D+01  0.139288D+01  0.394946D+00 -0.606133D+00
      2   0.247846D+01  0.259319D+01 -0.123037D+01 -0.644115D+01  0.546455D+00
      3   0.127206D+01  0.549357D+01 -0.113239D+01 -0.967359D+00 -0.223741D+01
               246           247           248           249           250 
      1  -0.706601D+00 -0.402561D+00  0.782344D+00 -0.304557D+00 -0.118115D+01
      2   0.370860D+01  0.315855D+00 -0.157044D+01 -0.145172D+00  0.110119D+01
      3  -0.105362D+01 -0.135665D+01  0.108033D+01  0.213634D+01 -0.120417D+01
               251           252           253           254           255 
      1   0.327913D+01  0.240995D+01 -0.157128D+01  0.527634D+00 -0.282381D+01
      2  -0.272841D+00 -0.195817D+02  0.887393D+01  0.117471D+01  0.699225D+01
      3   0.352643D+01  0.164775D+01 -0.186029D+02 -0.152763D+02  0.184749D+01
               256           257           258           259           260 
      1  -0.134039D+01 -0.588787D+01  0.583207D+00 -0.709705D+00  0.549608D+01
      2   0.404803D+01  0.103225D+02 -0.338864D+01  0.459482D+01 -0.505845D+01
      3  -0.820224D+01  0.129638D+02 -0.922975D+01  0.116009D+01 -0.115868D+02
               261           262           263           264           265 
      1   0.808731D+01  0.857457D+00 -0.117419D+01  0.985131D+00 -0.232156D+01
      2  -0.180801D+02  0.202414D+00 -0.767610D+00  0.895521D+00 -0.983495D+00
      3   0.590329D+01  0.316197D+01 -0.487727D+01 -0.621834D+00 -0.403949D+01
               266           267           268           269           270 
      1   0.687937D+01 -0.389826D+01  0.110402D+01 -0.284622D+01  0.233738D+01
      2   0.253799D+01 -0.439308D+01  0.100636D+01 -0.395454D+01  0.159731D+01
      3   0.267844D+02 -0.745645D+00  0.258992D+01 -0.115717D+02  0.331459D+01
               271           272           273           274           275 
      1  -0.179751D+01 -0.484269D+00  0.933563D+00 -0.240338D+00 -0.150598D+01
      2   0.482630D+01 -0.314100D+00 -0.211126D+01  0.102897D+01  0.239894D+01
      3  -0.412040D-01  0.153892D+01  0.143651D+01  0.117029D+01 -0.216068D+01
               276           277           278           279           280 
      1  -0.176094D+01  0.472421D-01  0.775570D+00 -0.114666D+02  0.773601D+00
      2   0.270992D+01 -0.235532D+01  0.508027D+01  0.232335D+02 -0.330028D+01
      3  -0.192944D+01  0.190330D+01 -0.558949D+01 -0.464622D+01  0.157705D+02
               281           282           283           284           285 
      1   0.751425D-01 -0.229983D+01  0.346807D+00  0.683600D+00 -0.432099D+00
      2   0.238391D+00  0.734322D+01 -0.742947D+00 -0.135031D+01  0.131690D+00
      3  -0.643317D+01 -0.116451D+01 -0.349721D+01  0.820445D+00  0.114816D+01
               286           287           288           289           290 
      1  -0.208309D+01  0.329305D+00 -0.293121D+00  0.141921D+01 -0.414122D+00
      2   0.397812D+01  0.835030D+00  0.368983D+00 -0.228721D+01  0.818104D+00
      3  -0.115877D+01  0.203278D+01  0.756786D+00 -0.434332D+01  0.789061D+01
               291           292           293           294           295 
      1   0.185663D+01 -0.177730D+00  0.387466D+01 -0.504881D+01  0.849504D+00
      2  -0.167444D+01  0.199214D-01 -0.596311D+01  0.477136D+01 -0.204963D+01
      3  -0.204819D+01  0.483141D+01 -0.262692D+02  0.655491D+01 -0.205105D+01
               296           297 
      1  -0.208714D+01  0.242498D+01
      2   0.513022D+01 -0.288194D+01
      3   0.102813D+02 -0.571743D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.817107D+01  0.208862D+01 -0.267130D+02  0.743803D+01 -0.129959D+02
      2   0.497109D+01 -0.225792D+01  0.745574D+01 -0.713361D+01  0.129692D+02
      3   0.319998D+01  0.169298D+00  0.192572D+02 -0.304414D+00  0.267790D-01
      4   0.533210D+01  0.295528D+01  0.311775D+01  0.103404D+02 -0.329315D+01
      5  -0.128588D+02  0.312844D+01 -0.594989D+01  0.386839D+01  0.720429D+01
      6   0.250935D+01  0.380531D+01 -0.324227D+01  0.510528D+01 -0.964374D+01
                 6             7             8             9            10 
      1   0.101039D+02  0.352742D+02  0.261918D+01  0.855730D+01  0.480998D+02
      2  -0.113295D+02 -0.277516D+01 -0.536994D+01  0.256746D+01 -0.196384D+02
      3   0.122563D+01 -0.324991D+02  0.275077D+01 -0.111248D+02 -0.284613D+02
      4   0.657687D+01 -0.349149D+01  0.435262D+01  0.271917D+01 -0.116961D+02
      5   0.210508D+01  0.266798D+01  0.188721D+01 -0.945787D+01 -0.104426D+02
      6   0.139352D+02  0.434077D+01  0.383008D+01  0.273688D+01  0.641882D+01
                11            12            13            14            15 
      1   0.637013D+01 -0.512126D+01  0.722954D+01  0.157056D+01  0.123508D+01
      2  -0.505235D+01  0.114863D+01 -0.123431D+02  0.925858D+01  0.121545D+01
      3  -0.131778D+01  0.397263D+01  0.511353D+01 -0.108291D+02 -0.245054D+01
      4  -0.167676D+00  0.182403D+00  0.217387D+02 -0.552284D+01 -0.118757D+01
      5  -0.642057D+00  0.963454D+01  0.473360D+01 -0.509401D+00 -0.253536D+01
      6   0.152536D+01 -0.722590D+01  0.740950D+00  0.188873D+01  0.511054D+01
                16            17            18            19            20 
      1  -0.964479D+01 -0.619274D+00 -0.217356D+02  0.643916D+01 -0.566711D+01
      2  -0.967692D+00  0.263582D+01  0.919883D-01 -0.207902D+00  0.421398D+01
      3   0.106125D+02 -0.201655D+01  0.216436D+02 -0.623126D+01  0.145314D+01
      4   0.152068D+01 -0.145737D+01 -0.324909D+01 -0.437623D+01 -0.446233D+00
      5  -0.182185D+02 -0.301713D+01  0.664694D+00  0.123604D+02 -0.309981D+00
      6  -0.340257D+00 -0.222890D+01 -0.183908D+01 -0.177492D+01 -0.504960D+01
                21            22            23            24            25 
      1   0.267267D+02 -0.102016D+01 -0.120224D+02 -0.152689D+01 -0.201770D+02
      2  -0.109806D+02  0.248947D+01  0.825692D+01 -0.621174D+01 -0.267502D+01
      3  -0.157461D+02 -0.146930D+01  0.376544D+01  0.773863D+01  0.228521D+02
      4   0.982228D+00  0.122531D+02  0.355150D+01 -0.592014D+01 -0.449428D+01
      5  -0.116532D+02 -0.428622D+01 -0.532487D+01  0.200649D+01  0.675011D+01
      6   0.763142D+01 -0.481795D+01 -0.584498D+01  0.155936D+02 -0.244184D+01
                26            27            28            29            30 
      1   0.111905D+01  0.101542D+02  0.177875D+02 -0.349229D+00  0.236538D+01
      2  -0.303254D+01  0.495591D+01 -0.204660D+01  0.389913D+01  0.175205D+01
      3   0.191349D+01 -0.151101D+02 -0.157409D+02 -0.354990D+01 -0.411742D+01
      4  -0.587913D+01 -0.574098D+00  0.228122D+02  0.147648D+01  0.386839D+00
      5  -0.757813D+00  0.933785D+01  0.323554D+00  0.347825D+00  0.793985D+01
      6   0.606022D+01  0.260666D+00 -0.490226D+00 -0.241798D+01  0.365515D+01
                31            32            33            34            35 
      1  -0.398363D+01  0.248877D+01  0.157853D+01 -0.410439D+01  0.348538D+01
      2   0.581485D+01  0.663437D+01 -0.110624D+01 -0.101336D+01  0.395509D+00
      3  -0.183122D+01 -0.912314D+01 -0.472288D+00  0.511774D+01 -0.388089D+01
      4   0.204306D+02  0.229624D+01  0.181930D+01  0.523682D+00  0.538955D+01
      5   0.767648D+00  0.141610D+01 -0.577070D+00 -0.219646D+02 -0.454931D-01
      6  -0.346663D+01  0.101722D+01  0.299418D+01  0.143612D+01 -0.260340D+01
                36            37            38            39            40 
      1  -0.255583D+02  0.790188D+00 -0.722142D+00 -0.270364D+02 -0.249520D+01
      2   0.141160D+01 -0.848837D+00  0.199017D+01  0.974322D+01  0.139372D+01
      3   0.241467D+02  0.586495D-01 -0.126803D+01  0.172932D+02  0.110148D+01
      4  -0.254286D+01 -0.126186D+01  0.135527D+01  0.369785D+00  0.558821D+01
      5  -0.310746D+00 -0.213452D+02  0.137040D+01 -0.158185D+01  0.245650D+01
      6  -0.332469D+01  0.467355D+01  0.455215D+01  0.445016D+01  0.691717D+01
                41            42            43            44            45 
      1  -0.846363D+01 -0.143142D+01  0.240805D+02 -0.426000D+01  0.127761D+02
      2   0.889794D+01  0.272399D+01  0.269874D+01  0.174468D+01  0.409720D+00
      3  -0.434302D+00 -0.129257D+01 -0.267793D+02  0.251532D+01 -0.131858D+02
      4   0.217182D+01  0.701442D+01  0.590603D+01  0.502828D+01  0.243271D+01
      5   0.442659D+01  0.233073D+01  0.139657D+02  0.766558D+00 -0.913656D+01
      6   0.289885D+01  0.943286D+01  0.462352D+00  0.373079D+01  0.500027D+01
                46            47            48            49            50 
      1  -0.247578D+01 -0.285453D+01  0.238909D+02  0.546385D+01 -0.115686D+02
      2   0.615281D+01  0.429056D+00 -0.826951D+01 -0.281604D+01  0.103574D+02
      3  -0.367702D+01  0.242547D+01 -0.156214D+02 -0.264781D+01  0.121122D+01
      4   0.300250D+01  0.103452D+01 -0.178919D+01  0.324011D+01 -0.291897D+00
      5   0.234428D+02 -0.157017D+01 -0.668279D+01 -0.611290D+01 -0.401351D+01
      6  -0.440458D+01 -0.241414D+01  0.306732D+00 -0.377821D+01  0.719345D+01
                51            52            53            54            55 
      1  -0.118707D+02 -0.265130D+02 -0.435652D+01  0.121991D+02 -0.334182D+02
      2   0.842048D+01  0.294219D+01  0.436543D+01  0.568880D+01  0.157131D+02
      3   0.345024D+01  0.235708D+02 -0.890988D-02 -0.178879D+02  0.177051D+02
      4  -0.541866D+01  0.430404D+01 -0.353695D+01 -0.456925D+00 -0.152149D+01
      5  -0.201203D+00  0.113817D+02 -0.214647D+00  0.881836D+01  0.209085D+01
      6   0.136091D+02 -0.248191D+01  0.509602D+01  0.266482D+01 -0.488872D+01
                56            57            58            59            60 
      1  -0.100938D+02 -0.177129D+01 -0.442138D+02 -0.271057D+02  0.840844D+01
      2   0.609334D+01  0.134797D+01  0.247580D+02  0.119956D+02 -0.587313D+01
      3   0.400048D+01  0.423315D+00  0.194557D+02  0.151101D+02 -0.253531D+01
      4  -0.185680D+02  0.223374D+01 -0.464208D+02  0.645271D+01  0.104502D+02
      5   0.302926D+01 -0.145648D+02  0.642946D+01  0.111245D+02  0.222931D+02
      6  -0.100888D+01  0.522419D+01  0.270074D+01 -0.662623D+01 -0.964975D+01
                61            62            63            64            65 
      1   0.767186D+01  0.788337D+01 -0.114121D+02 -0.354024D+02  0.105607D+02
      2  -0.725450D+00 -0.459113D+01  0.301004D+01  0.240980D+02 -0.517480D+01
      3  -0.694641D+01 -0.329224D+01  0.840206D+01  0.113044D+02 -0.538592D+01
      4   0.198310D+01  0.126363D+02  0.313373D+02  0.129130D+02  0.249089D+02
      5  -0.298886D+02  0.277962D+02 -0.879983D+01  0.248515D+02 -0.557465D+01
      6   0.130956D+02 -0.113258D+02 -0.712381D+00  0.557186D+01 -0.219463D+00
                66            67            68            69            70 
      1   0.274687D+02  0.494232D+02  0.413812D+02 -0.107365D+02  0.268103D+02
      2  -0.131082D+02 -0.207546D+02 -0.178336D+02  0.252991D+01 -0.131811D+02
      3  -0.143605D+02 -0.286685D+02 -0.235476D+02  0.820655D+01 -0.136292D+02
      4  -0.369962D+01  0.443232D+02  0.622095D+01 -0.134595D+02 -0.686794D+01
      5   0.153738D+02 -0.159033D+02 -0.156875D+02 -0.262282D+02  0.269457D+02
      6   0.601244D+01 -0.296268D+01 -0.162339D+01 -0.589359D+01  0.124342D+01
                71            72            73            74            75 
      1  -0.699758D+01  0.352174D+02  0.477555D+02 -0.123038D+02 -0.292481D+02
      2  -0.285526D+01 -0.172957D+02 -0.281429D+02  0.339470D+01  0.137805D+02
      3   0.985284D+01 -0.179217D+02 -0.196126D+02  0.890912D+01  0.154676D+02
      4  -0.147216D+02 -0.244764D+02 -0.172752D+02 -0.357991D+02  0.124210D+02
      5  -0.264731D+02  0.190471D+02 -0.263357D+02  0.138216D+02 -0.240861D+02
      6  -0.508739D+01  0.730919D+01  0.213759D+01  0.621789D+01 -0.943459D+00
                76            77            78            79            80 
      1  -0.248411D+02 -0.433991D+02  0.192146D+02 -0.310165D+02  0.167269D+02
      2   0.634367D+01  0.220791D+02 -0.187542D+01  0.138404D+02 -0.105650D+01
      3   0.184975D+02  0.213200D+02 -0.173392D+02  0.171761D+02 -0.156704D+02
      4  -0.563010D+02 -0.240038D+02  0.307449D+02  0.146756D+02  0.269620D+02
      5   0.191544D+02  0.336543D+02  0.368599D+02 -0.388020D+02  0.376827D+02
      6   0.105235D+02  0.443199D+01 -0.624838D+01  0.593561D+00 -0.550707D+01
                81            82            83            84            85 
      1  -0.360153D+02  0.482599D+02 -0.840719D+01 -0.120734D+02 -0.145868D+02
      2   0.221197D+02 -0.316271D+02 -0.758835D+01  0.147675D+02 -0.922459D+01
      3   0.138956D+02 -0.166328D+02  0.159955D+02 -0.269415D+01  0.238114D+02
      4   0.363686D+02 -0.426699D+01 -0.275196D+02  0.149566D+01 -0.349833D+02
      5  -0.459633D+00 -0.909274D+01  0.386768D+01 -0.170193D+02  0.750806D+01
      6  -0.602318D+01 -0.540062D+01 -0.111479D+00 -0.503041D+01  0.878132D+00
                86            87            88            89            90 
      1  -0.227596D+02 -0.143140D+01 -0.138608D+02 -0.198154D+01 -0.224656D+02
      2  -0.671173D+01 -0.297197D+00  0.170687D+02  0.462579D+01  0.264140D+02
      3   0.294713D+02  0.172859D+01 -0.320790D+01 -0.264425D+01 -0.394837D+01
      4  -0.354160D+02  0.145596D+02  0.379298D+01  0.232988D+02  0.141626D+02
      5   0.117873D+02  0.232086D+02 -0.229615D+02  0.207287D+02 -0.268582D+02
      6   0.592385D+01  0.981729D+01 -0.333445D+01  0.885417D+01 -0.228136D+01
                91            92            93            94            95 
      1   0.122198D+02 -0.469185D+01  0.428818D+00 -0.123566D+02 -0.196873D+02
      2  -0.105568D+02 -0.311214D+01 -0.283733D+01  0.178200D+01  0.485216D+01
      3  -0.166300D+01  0.780399D+01  0.240851D+01  0.105746D+02  0.148352D+02
      4  -0.208098D+02 -0.171948D+02 -0.533942D+01 -0.452055D+02  0.565124D+01
      5  -0.644165D+00 -0.447850D+01 -0.621134D+01 -0.417878D+01 -0.105227D+02
      6  -0.206862D+01 -0.730940D+00 -0.293777D+01 -0.355459D+01 -0.251829D+01
                96            97            98            99           100 
      1  -0.161435D+01 -0.105047D+02 -0.307240D+01 -0.116329D+01 -0.543871D+01
      2   0.128441D+01 -0.465078D+01 -0.268626D+00  0.110548D+02  0.405901D+01
      3   0.329940D+00  0.151555D+02  0.334102D+01 -0.989150D+01  0.137971D+01
      4  -0.106583D+02 -0.915911D+01 -0.208071D+02  0.259702D+00  0.841652D+01
      5   0.197856D+00 -0.101846D+02  0.160569D+01  0.358332D+02 -0.196787D+02
      6   0.986881D+00 -0.208095D+01  0.190981D+01  0.323558D+01  0.551253D+01
               101           102           103           104           105 
      1   0.333225D+01 -0.933079D+01  0.119376D+02  0.785448D+01  0.505300D+01
      2  -0.888980D+00  0.931769D+01 -0.887589D+01 -0.487882D+01 -0.825019D+01
      3  -0.244327D+01  0.131010D-01 -0.306167D+01 -0.297566D+01  0.319719D+01
      4   0.784616D+00  0.555729D+01  0.333587D+01 -0.138374D+02  0.126115D+02
      5   0.495122D+01 -0.722537D+01  0.914234D+00  0.122079D+02  0.135616D+02
      6  -0.437066D+01  0.576517D+01  0.432050D+01 -0.117454D+02 -0.897561D+01
               106           107           108           109           110 
      1  -0.264492D+02  0.571972D+01 -0.859236D+01  0.402703D+02 -0.542013D+01
      2   0.179475D+02 -0.454582D+01  0.119529D+02 -0.257517D+02  0.120755D+01
      3   0.850170D+01 -0.117390D+01 -0.336058D+01 -0.145186D+02  0.421258D+01
      4   0.127717D+02 -0.473239D+01  0.136310D+02 -0.140258D+02  0.158096D+02
      5  -0.267781D+02  0.118286D+02 -0.406320D+02  0.365978D+02 -0.431794D+01
      6   0.105117D+02 -0.149142D+02  0.137178D+02 -0.982540D+01  0.316589D+01
               111           112           113           114           115 
      1   0.263702D+02 -0.383277D+01  0.186143D+01  0.112376D+01  0.420630D+02
      2  -0.190970D+02 -0.634560D+00  0.207111D+01 -0.215651D+00 -0.263967D+02
      3  -0.727315D+01  0.446733D+01 -0.393254D+01 -0.908109D+00 -0.156663D+02
      4  -0.823344D+01  0.160508D+02 -0.670958D+01  0.132107D+02 -0.192390D+02
      5   0.271009D+02 -0.656355D+01  0.131851D+02 -0.103398D+02  0.457528D+02
      6  -0.619413D+01  0.485896D+01 -0.655228D+01  0.133306D+02 -0.117653D+02
               116           117           118           119           120 
      1  -0.127577D+01  0.959890D+01  0.152422D+01 -0.122300D+02 -0.944314D+01
      2  -0.338851D+01 -0.307625D+02 -0.143340D+01  0.149650D+02  0.410860D+01
      3   0.466428D+01  0.211636D+02 -0.908189D-01 -0.273498D+01  0.533453D+01
      4   0.288344D+02 -0.128987D+02 -0.159314D+01 -0.479343D+01  0.684838D+01
      5  -0.116529D+02  0.744858D+02 -0.838892D+01  0.225202D+01  0.443197D+01
      6   0.147201D+02 -0.277926D+02  0.478393D+01 -0.425587D-01 -0.144941D+00
               121           122           123           124           125 
      1  -0.830684D+01 -0.893579D+01 -0.525159D+01 -0.120937D+02 -0.716824D+01
      2   0.130064D+02 -0.311842D+01  0.109723D+02  0.144965D+00  0.212820D+02
      3  -0.469961D+01  0.120542D+02 -0.572071D+01  0.119487D+02 -0.141137D+02
      4  -0.338039D+01  0.267705D+02 -0.196437D+02  0.194025D+02 -0.370325D+02
      5   0.782861D+01 -0.197933D+02 -0.647820D+01  0.108792D+02 -0.137935D+02
      6  -0.494526D+01  0.193710D+02  0.106644D+02 -0.425210D+01  0.158427D+02
               126           127           128           129           130 
      1  -0.479075D+01  0.797612D+00  0.169553D+01 -0.354773D+01 -0.908279D+00
      2  -0.132311D+01 -0.638006D+01 -0.749678D+00 -0.596425D+01  0.144045D+01
      3   0.611386D+01  0.558244D+01 -0.945847D+00  0.951198D+01 -0.532171D+00
      4  -0.117938D+02 -0.553955D+01  0.411856D+01 -0.515108D+01  0.127006D+01
      5  -0.225683D+02  0.166979D+02 -0.288379D+01  0.168910D+02 -0.252282D+01
      6   0.170107D+02 -0.613769D+01  0.390151D+01 -0.678243D+01  0.167946D+01
               131           132           133           134           135 
      1  -0.122273D+01  0.139218D+01 -0.482611D+01  0.432679D+01 -0.200578D+02
      2  -0.432018D+00  0.101784D+01 -0.727611D+01 -0.793398D+00 -0.117567D+02
      3   0.165475D+01 -0.241002D+01  0.121022D+02 -0.353340D+01  0.318146D+02
      4  -0.141910D+01  0.210527D+01 -0.448223D+01  0.412294D+01 -0.642962D+01
      5   0.223210D+01 -0.325086D+01  0.174069D+02 -0.353257D+01  0.254646D+02
      6  -0.113294D+01  0.307363D+01 -0.685144D+01  0.757538D+01 -0.141642D+02
               136           137           138           139           140 
      1  -0.256793D+01 -0.179647D+00  0.592759D+01 -0.499173D+00 -0.126110D+01
      2  -0.546029D+01  0.115768D+00  0.605786D+01 -0.826656D-03 -0.506899D+00
      3   0.802823D+01  0.638791D-01 -0.119855D+02  0.500000D+00  0.176800D+01
      4   0.271224D+01  0.211183D+01 -0.255143D+01  0.433511D+00 -0.169851D+00
      5  -0.112730D+02 -0.630896D+00  0.144195D+02 -0.248312D-01 -0.128713D+01
      6  -0.278325D+01 -0.211611D+01  0.307520D+01 -0.418295D+00 -0.467428D+00
               141           142           143           144           145 
      1   0.754121D+00  0.769041D+01  0.272049D+01 -0.309550D+02  0.410051D+01
      2   0.364570D+00  0.635236D+01 -0.814734D+00 -0.160801D+02 -0.541877D+01
      3  -0.111869D+01 -0.140428D+02 -0.190576D+01  0.470351D+02  0.131826D+01
      4  -0.829579D+00 -0.292462D+01 -0.280041D+01  0.400163D+01  0.197571D+00
      5  -0.176038D+00  0.137008D+02  0.143764D+01 -0.225410D+02  0.114303D+02
      6   0.227296D+01  0.429573D+01  0.706183D+01 -0.118753D+02  0.124255D+01
               146           147           148           149           150 
      1  -0.863353D+00 -0.139646D+01 -0.130870D+01 -0.283426D+00  0.141034D+01
      2   0.728030D+00 -0.409713D+01  0.713499D+00 -0.692450D+00  0.577034D+00
      3   0.135323D+00  0.549359D+01  0.595201D+00  0.975876D+00 -0.198738D+01
      4   0.303162D+01  0.763156D+00  0.160356D+01 -0.114776D+01  0.551064D+00
      5  -0.108546D+01  0.101484D+02 -0.122673D+01  0.201171D+01 -0.187362D+01
      6   0.167023D+01  0.137384D+01  0.220998D+00 -0.715392D+00  0.969946D+00
               151           152           153           154           155 
      1  -0.385318D+01  0.829927D+00 -0.149495D+02  0.497362D+00  0.129170D+01
      2  -0.519650D+01  0.925227D+00 -0.897652D+01 -0.518169D+01 -0.968378D+00
      3   0.904968D+01 -0.175515D+01  0.239260D+02  0.468433D+01 -0.323320D+00
      4   0.144898D+01  0.270626D+01  0.126209D+01 -0.161290D+01  0.215551D+01
      5   0.124082D+02 -0.928887D+00  0.173610D+02 -0.965279D+01  0.411589D+00
      6   0.215150D+01  0.420810D+01  0.378390D+01  0.326211D+01 -0.189257D+01
               156           157           158           159           160 
      1   0.308996D+01 -0.918733D+00 -0.131883D+01  0.133812D+01  0.357873D+01
      2   0.497883D+01  0.449458D+00 -0.445178D+00  0.182355D-01  0.657374D+01
      3  -0.806879D+01  0.469275D+00  0.176401D+01 -0.135636D+01 -0.101525D+02
      4   0.218716D+01  0.112872D+01 -0.498208D+00 -0.931513D+00  0.154925D+01
      5   0.122752D+02  0.471619D+00 -0.172773D+01 -0.448313D+00  0.130567D+02
      6  -0.412902D+01 -0.997749D+00  0.244735D-01  0.172768D+01 -0.368446D+01
               161           162           163           164           165 
      1  -0.165126D+01 -0.236122D+02  0.116015D+02 -0.504270D+01 -0.640137D+01
      2   0.113324D+01 -0.129442D+02 -0.414255D+01  0.653374D+00  0.256844D+01
      3   0.518017D+00  0.365564D+02 -0.745895D+01  0.438933D+01  0.383293D+01
      4  -0.262397D+01 -0.269588D+01 -0.120325D+02  0.144371D+02  0.619800D+01
      5  -0.266891D+00 -0.205766D+02 -0.110129D+02  0.476134D+01  0.848330D+01
      6   0.580668D+01  0.101620D+02  0.511185D+01 -0.228025D+01 -0.274655D+01
               166           167           168           169           170 
      1  -0.380147D+01 -0.318754D+01 -0.339582D+01 -0.209726D+02 -0.569709D+01
      2  -0.217474D+01  0.120531D+02  0.545745D+01  0.912310D+01  0.670072D+01
      3   0.597621D+01 -0.886555D+01 -0.206162D+01  0.118495D+02 -0.100363D+01
      4   0.222988D+02 -0.302711D+02 -0.165095D+02  0.143288D+02 -0.234623D+02
      5   0.776620D+01 -0.150469D+02 -0.128064D+02  0.192692D+02 -0.171916D+02
      6  -0.565227D+01  0.121039D+02  0.102294D+02 -0.904135D+01  0.122335D+02
               171           172           173           174           175 
      1   0.234723D+00  0.169935D+02 -0.367354D+01  0.863726D+01  0.906676D-01
      2  -0.931676D+00 -0.842945D+01 -0.199138D+00 -0.432908D+01 -0.236986D+01
      3   0.696954D+00 -0.856407D+01  0.387268D+01 -0.430818D+01  0.227919D+01
      4  -0.199928D+02 -0.114314D+02  0.142704D+02 -0.832065D+01  0.140538D+02
      5  -0.200312D+02  0.149321D+02 -0.668002D+01  0.130537D+02 -0.575968D+01
      6   0.119782D+02 -0.504698D+01  0.252396D+01 -0.355300D+01  0.372561D+01
               176           177           178           179           180 
      1   0.181573D+01  0.576255D+00  0.200992D+02  0.738439D+00  0.186574D+01
      2   0.317877D+01 -0.212993D+01 -0.100908D+02 -0.269890D+01 -0.342472D+01
      3  -0.499450D+01  0.155368D+01 -0.100084D+02  0.196046D+01  0.155899D+01
      4  -0.149672D+02  0.886142D+01 -0.131266D+02  0.164670D+02 -0.175664D+02
      5   0.839782D+01 -0.907732D+01  0.179318D+02 -0.154520D+02  0.267662D+02
      6  -0.543760D+01  0.739221D+01 -0.657072D+01  0.890078D+01 -0.102975D+02
               181           182           183           184           185 
      1  -0.118896D+02  0.344569D+01 -0.157758D+02  0.137383D+01 -0.153191D+02
      2   0.354409D+01 -0.185513D+01  0.537078D+01 -0.133197D+01  0.880496D+01
      3   0.834550D+01 -0.159056D+01  0.104051D+02 -0.418651D-01  0.651414D+01
      4  -0.200435D+01 -0.557354D+01  0.850685D+00 -0.324126D+01  0.727763D+01
      5  -0.816279D+01  0.137029D+01 -0.538334D+01  0.295941D+00 -0.533016D+01
      6  -0.451156D+01  0.203365D+01 -0.459367D+01  0.172149D+01 -0.576525D+01
               186           187           188           189           190 
      1   0.769105D+01 -0.249240D+02  0.775315D+01 -0.242134D+02  0.996767D+01
      2  -0.344437D+01  0.102404D+02 -0.182514D+01  0.924308D-01 -0.719622D+01
      3  -0.424668D+01  0.146836D+02 -0.592801D+01  0.241210D+02 -0.277146D+01
      4  -0.517122D+01 -0.499417D+00 -0.766202D+01  0.972877D+01 -0.959357D+01
      5   0.124468D+02 -0.159883D+01  0.112572D+02 -0.320276D+02 -0.124093D+02
      6   0.942850D+01 -0.265370D+01  0.784174D+01 -0.134964D+02  0.259629D+01
               191           192           193           194           195 
      1  -0.972980D+01 -0.105335D+02 -0.238579D+02  0.120862D+02  0.659377D+01
      2   0.585525D+01  0.698741D+01  0.148407D+02 -0.738413D+01 -0.921322D+01
      3   0.387455D+01  0.354613D+01  0.901719D+01 -0.470211D+01  0.261945D+01
      4   0.105453D+02  0.560335D+01  0.218579D+02 -0.296340D+02 -0.253666D+02
      5   0.658415D+01  0.151011D+02  0.168775D+02 -0.262522D+02 -0.322287D+02
      6  -0.177083D+01 -0.119283D+01 -0.435225D+01  0.824350D+01  0.818424D+01
               196           197           198           199           200 
      1  -0.249311D+02  0.398949D+01  0.143522D+02  0.458786D+02 -0.109324D+02
      2   0.180543D+02 -0.733569D+01 -0.212260D+02 -0.225925D+02  0.535534D+01
      3   0.687684D+01  0.334620D+01  0.687380D+01 -0.232861D+02  0.557707D+01
      4   0.111366D+02 -0.272565D+02 -0.263464D+02 -0.988388D+01  0.139660D+02
      5   0.323773D+02 -0.276514D+02 -0.503495D+02  0.222350D+02 -0.736436D+01
      6  -0.267152D+01  0.841520D+01  0.771183D+01 -0.531285D+00 -0.690003D+00
               201           202           203           204           205 
      1   0.239301D+02 -0.213206D+02  0.163413D+02 -0.970610D+01  0.558612D+02
      2  -0.112390D+02  0.104952D+02 -0.680453D+01  0.340450D+01 -0.283857D+02
      3  -0.126911D+02  0.108254D+02 -0.953674D+01  0.630160D+01 -0.274755D+02
      4  -0.730042D+01  0.201826D+02 -0.125100D+02  0.737366D+01 -0.117943D+02
      5   0.212005D+02 -0.967923D+01  0.702912D+01 -0.162238D+02  0.314181D+02
      6   0.174148D+00 -0.199025D+00 -0.136240D+01  0.275540D+01 -0.134713D+00
               206           207           208           209           210 
      1  -0.120657D+02  0.271842D+02  0.470481D+02  0.274205D+02 -0.854058D+01
      2   0.496779D+01 -0.159467D+02 -0.206033D+02 -0.111965D+02  0.500310D+01
      3   0.709794D+01 -0.112375D+02 -0.264447D+02 -0.162240D+02  0.353748D+01
      4   0.148913D+02 -0.145230D+02  0.341302D+02  0.311349D+02 -0.979230D+01
      5  -0.149728D+02  0.412280D+02 -0.143389D+02 -0.111117D+02  0.140197D+02
      6   0.240719D+01  0.142248D+00 -0.599792D+01 -0.490250D+01  0.290378D+01
               211           212           213           214           215 
      1   0.572176D+02  0.306260D+02 -0.121730D+02 -0.108139D+02 -0.713477D+01
      2  -0.232791D+02 -0.540412D+01  0.616731D+01  0.682646D+01  0.320171D+01
      3  -0.339385D+02 -0.252218D+02  0.600573D+01  0.398745D+01  0.393306D+01
      4   0.520194D+02  0.612712D+02 -0.177266D+02 -0.118562D+02 -0.148579D+02
      5  -0.216506D+02 -0.188210D+02  0.159142D+02  0.209432D+02  0.912164D+01
      6  -0.934049D+01 -0.115436D+02  0.788177D+01  0.474696D+01  0.698830D+01
               216           217           218           219           220 
      1   0.124780D+02  0.113502D+02 -0.159442D+01  0.113699D+02 -0.709251D+01
      2  -0.764959D+01 -0.979688D+01  0.389472D+01 -0.123067D+02  0.697464D+01
      3  -0.482844D+01 -0.155332D+01 -0.230030D+01  0.936732D+00  0.117870D+00
      4   0.861351D+01  0.295095D+01  0.881100D+01  0.316880D+01  0.496999D+01
      5  -0.132460D+02  0.183626D+02  0.215463D+00  0.234293D+02 -0.644080D+01
      6  -0.404272D+01  0.354022D+01  0.224102D+01  0.508439D+01  0.709326D+00
               221           222           223           224           225 
      1   0.356471D+01 -0.228912D+01  0.152021D+02 -0.220684D+01  0.361556D+01
      2  -0.258731D+01  0.656063D+01 -0.153428D+02  0.502224D+01 -0.235151D+02
      3  -0.977398D+00 -0.427151D+01  0.140649D+00 -0.281540D+01  0.198995D+02
      4  -0.195886D+01  0.381666D+01  0.462699D+01  0.797174D+01  0.193905D+01
      5   0.543702D+01 -0.149890D+02  0.239182D+02 -0.163152D+01  0.518380D+02
      6  -0.171650D+01  0.344619D+00  0.532829D+01  0.443737D+01  0.133579D+02
               226           227           228           229           230 
      1  -0.529189D+02  0.132322D+02  0.117826D+02  0.799204D+01 -0.102285D+02
      2   0.293552D+02 -0.120659D+02 -0.649745D+01 -0.598493D+01  0.101034D+02
      3   0.235637D+02 -0.116637D+01 -0.528518D+01 -0.200711D+01  0.125131D+00
      4  -0.144117D+02 -0.412825D+01 -0.145087D+01  0.190312D+01  0.353836D+01
      5  -0.122346D+01 -0.374331D+01 -0.364144D+01 -0.117337D+01 -0.502113D+00
      6   0.316475D+01 -0.516844D+01 -0.510903D+01 -0.333198D+01  0.187880D+01
               231           232           233           234           235 
      1  -0.384595D+01  0.974274D+01 -0.275703D+01 -0.635739D+01  0.128219D+02
      2   0.240210D+01 -0.513122D+01  0.109378D+01  0.731528D+00  0.256070D+01
      3   0.144385D+01 -0.461152D+01  0.166325D+01  0.562586D+01 -0.153826D+02
      4  -0.995880D+00  0.108770D+01 -0.223624D+01 -0.138059D+01  0.261992D+02
      5  -0.188596D+01  0.143472D+01 -0.448295D+00  0.478254D+01  0.189969D+01
      6   0.164226D+01 -0.344552D+01  0.273426D+01  0.302060D+01  0.162706D+01
               236           237           238           239           240 
      1   0.114298D+02 -0.779908D+00  0.131989D+02 -0.185965D+01 -0.102911D+01
      2   0.704464D+01 -0.120320D+01  0.856417D+01  0.374650D+02 -0.116900D+01
      3  -0.184744D+02  0.198311D+01 -0.217631D+02 -0.356053D+02  0.219811D+01
      4   0.327068D+02  0.210045D+00  0.380210D+02  0.686073D+02 -0.133732D+01
      5   0.236168D+01  0.777628D+01  0.194252D+01  0.169865D+01  0.698574D+01
      6   0.233054D+01  0.375683D+01  0.169527D+01  0.469210D+01  0.678387D+01
               241           242           243           244           245 
      1  -0.505964D+01 -0.131111D+00  0.305296D+01  0.175550D+01  0.118951D+01
      2  -0.873789D+00 -0.616643D+01  0.516104D-01 -0.573447D+01  0.644051D-01
      3   0.593343D+01  0.629755D+01 -0.310457D+01  0.397898D+01 -0.125391D+01
      4  -0.700640D+01 -0.132331D+02  0.663577D+01  0.247567D+01  0.514695D+01
      5   0.741162D+01  0.506307D+01 -0.143811D+01 -0.139899D+02  0.670222D+00
      6   0.374509D+01  0.582570D+01 -0.225419D+01 -0.115551D+01 -0.177990D+00
               246           247           248           249           250 
      1  -0.798371D+01  0.130559D+01  0.140853D+01  0.291968D+00 -0.104408D+02
      2   0.664608D+01  0.299736D+00 -0.162922D+01 -0.132352D+01  0.104979D+02
      3   0.133763D+01 -0.160532D+01  0.220694D+00  0.103155D+01 -0.571614D-01
      4  -0.410976D+00  0.813132D+01 -0.133463D+01 -0.473530D+01 -0.176620D+01
      5   0.130774D+02  0.601102D+00 -0.519741D+01 -0.402764D+00  0.188286D+02
      6   0.100307D+01 -0.138589D+01 -0.617266D+00  0.487894D+01  0.922645D+00
               251           252           253           254           255 
      1   0.508386D+00 -0.415463D+01 -0.813798D+02 -0.882611D+01  0.800506D+01
      2  -0.822008D+00 -0.167987D+02  0.448212D+02  0.141080D+02 -0.584204D+01
      3   0.313622D+00  0.209533D+02  0.365586D+02 -0.528184D+01 -0.216302D+01
      4  -0.854853D+01  0.129880D+01 -0.146584D+02  0.256608D+02  0.287993D+01
      5  -0.793292D-01 -0.444534D+02  0.113117D+02  0.255931D+00  0.922874D+01
      6   0.389969D+01 -0.430679D+01  0.598027D+01  0.115524D+00  0.504993D+01
               256           257           258           259           260 
      1   0.167456D+02  0.328088D+02 -0.510794D+01  0.186633D+02 -0.454839D+01
      2   0.296777D+01 -0.246938D+02  0.108924D+02 -0.525222D+01  0.146241D+02
      3  -0.197133D+02 -0.811504D+01 -0.578442D+01 -0.134111D+02 -0.100757D+02
      4   0.395734D+02  0.693791D+00  0.173268D+02  0.123675D+02  0.237109D+02
      5   0.471690D+01  0.190341D+02 -0.460827D+01  0.108282D+02 -0.793096D+01
      6   0.389398D+01  0.135871D+02 -0.193021D+01  0.467378D+01 -0.374786D+01
               261           262           263           264           265 
      1   0.167139D+02  0.425961D+01 -0.698062D+01  0.562749D+00 -0.404910D+01
      2  -0.608340D+01  0.414034D+01 -0.404051D+01  0.268748D+00 -0.832391D+01
      3  -0.106305D+02 -0.839995D+01  0.110211D+02 -0.831498D+00  0.123730D+02
      4  -0.325190D+01 -0.141928D+02  0.207337D+02 -0.124999D+01  0.240272D+02
      5  -0.285331D+02 -0.597323D+00 -0.547007D-01  0.236971D+01 -0.209583D+00
      6  -0.138368D+02 -0.362977D+00  0.234158D+00 -0.842390D+00  0.603324D+00
               266           267           268           269           270 
      1  -0.111238D+02 -0.141846D+00  0.179514D+01  0.282452D+01 -0.153726D+01
      2   0.404817D+02 -0.220411D+01  0.398884D+01 -0.153335D+02  0.454429D+01
      3  -0.293579D+02  0.234595D+01 -0.578398D+01  0.125090D+02 -0.300702D+01
      4  -0.611868D+02  0.247831D+01 -0.108831D+02  0.259879D+02 -0.753774D+01
      5   0.530039D+00 -0.787187D+01  0.323061D+01 -0.674837D+01  0.227268D+01
      6  -0.109551D+01  0.557773D+01 -0.272996D+01  0.786520D+01 -0.267552D+01
               271           272           273           274           275 
      1   0.450810D+01  0.271013D+01  0.580167D+01 -0.203310D+01 -0.693045D+01
      2  -0.457509D+01 -0.329731D+01 -0.226733D+01  0.575681D-01  0.525705D+01
      3   0.669873D-01  0.587175D+00 -0.353434D+01  0.197553D+01  0.167340D+01
      4   0.252261D+00 -0.327055D+01  0.105040D+01 -0.162899D+01  0.230617D+01
      5   0.343204D+01 -0.471677D+00 -0.316360D+00  0.533302D+00  0.367225D+01
      6   0.177307D+01 -0.113230D+01 -0.164517D+01  0.139817D+00  0.248350D+01
               276           277           278           279           280 
      1  -0.233142D+01  0.122535D+02 -0.315915D+01 -0.123199D+02  0.126414D+03
      2   0.156767D+01 -0.570525D+01  0.387637D+01 -0.309619D+01 -0.597827D+02
      3   0.763752D+00 -0.654823D+01 -0.717214D+00  0.154161D+02 -0.666318D+02
      4   0.356542D+01  0.927631D+01  0.128441D+02  0.872331D+01  0.472669D+02
      5   0.520631D+01  0.783395D+01  0.999197D+01  0.405065D+02 -0.486230D+01
      6   0.624984D+01  0.225735D+01  0.932345D+01  0.224270D+02 -0.208934D+01
               281           282           283           284           285 
      1   0.116920D+02 -0.505736D+01 -0.695765D+01  0.690897D+01  0.639409D+00
      2  -0.977890D+00  0.277055D+01  0.626631D+01 -0.134237D+01 -0.151869D+01
      3  -0.107141D+02  0.228681D+01  0.691342D+00 -0.556660D+01  0.879284D+00
      4   0.203971D+02 -0.827121D+00  0.104977D+02  0.326988D+01 -0.236147D+01
      5   0.204435D-01  0.127941D+02 -0.357033D+00 -0.259169D+01 -0.168193D+00
      6   0.264347D+00  0.380403D+01 -0.241048D+00 -0.123260D+01  0.740048D+00
               286           287           288           289           290 
      1  -0.128270D+02 -0.761513D+00  0.905957D+01  0.241111D+00  0.129796D+02
      2   0.612969D+01 -0.155166D+01 -0.559674D+01  0.227240D+01 -0.140255D+02
      3   0.669731D+01  0.231317D+01 -0.346282D+01 -0.251351D+01  0.104587D+01
      4  -0.621890D+01 -0.511472D+01  0.427478D+01  0.268321D+01 -0.776492D+01
      5   0.147598D+02  0.242753D+01 -0.816269D+00 -0.305341D+01  0.139781D+01
      6   0.391242D+01  0.201434D+01  0.418689D+00 -0.243619D+01  0.191514D+01
               291           292           293           294           295 
      1  -0.479694D+01  0.952971D+01 -0.292610D+02  0.654654D+01 -0.817712D+01
      2   0.356168D+01 -0.453397D+01  0.461833D+02 -0.955009D+01  0.280682D+01
      3   0.123526D+01 -0.499574D+01 -0.169223D+02  0.300355D+01  0.537030D+01
      4  -0.491970D+00  0.767787D+01  0.432497D+02 -0.102080D+02 -0.689267D+01
      5  -0.274023D+01 -0.776435D+00 -0.124413D+02  0.925458D+01  0.108540D+01
      6  -0.295752D+01 -0.385039D+00 -0.101994D+02  0.878298D+01 -0.802142D-01
               296           297 
      1   0.866734D+01 -0.829795D+01
      2  -0.140767D+02  0.718207D+01
      3   0.540937D+01  0.111588D+01
      4  -0.192412D+02  0.832746D+01
      5   0.103514D+02 -0.556552D+01
      6   0.101584D+02 -0.611735D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep  8 14:24:57 2021, MaxMem=  6442450944 cpu:           51275.0 elap:            6413.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.31889 -19.26166 -10.44073 -10.32586 -10.31558
 Alpha  occ. eigenvalues --  -10.30896 -10.30411 -10.30343 -10.30222 -10.30130
 Alpha  occ. eigenvalues --  -10.30127 -10.29743 -10.29564 -10.28633 -10.28240
 Alpha  occ. eigenvalues --   -1.20952  -1.11664  -0.96766  -0.92105  -0.89525
 Alpha  occ. eigenvalues --   -0.84361  -0.84007  -0.77909  -0.77583  -0.76461
 Alpha  occ. eigenvalues --   -0.70783  -0.69645  -0.66464  -0.65125  -0.60707
 Alpha  occ. eigenvalues --   -0.60006  -0.58026  -0.56114  -0.55745  -0.53864
 Alpha  occ. eigenvalues --   -0.53647  -0.53045  -0.51620  -0.50936  -0.50476
 Alpha  occ. eigenvalues --   -0.50070  -0.47569  -0.46956  -0.46435  -0.45706
 Alpha  occ. eigenvalues --   -0.45372  -0.44485  -0.42998  -0.42465  -0.41877
 Alpha  occ. eigenvalues --   -0.41549  -0.40813  -0.40428  -0.37288  -0.33581
 Alpha  occ. eigenvalues --   -0.31847
 Alpha virt. eigenvalues --    0.04431   0.05113   0.07592   0.08072   0.08943
 Alpha virt. eigenvalues --    0.09969   0.10506   0.11211   0.11818   0.12353
 Alpha virt. eigenvalues --    0.13619   0.13988   0.14862   0.15765   0.15917
 Alpha virt. eigenvalues --    0.16102   0.16623   0.17088   0.18211   0.18562
 Alpha virt. eigenvalues --    0.18956   0.19663   0.19737   0.20515   0.20896
 Alpha virt. eigenvalues --    0.21445   0.21530   0.21886   0.22440   0.22563
 Alpha virt. eigenvalues --    0.22881   0.23307   0.23936   0.24762   0.25361
 Alpha virt. eigenvalues --    0.25669   0.25899   0.26561   0.27424   0.27488
 Alpha virt. eigenvalues --    0.27995   0.28639   0.29365   0.29843   0.30197
 Alpha virt. eigenvalues --    0.30571   0.31105   0.32042   0.32326   0.32551
 Alpha virt. eigenvalues --    0.33107   0.33698   0.34094   0.34654   0.35160
 Alpha virt. eigenvalues --    0.35373   0.36054   0.36366   0.37217   0.37407
 Alpha virt. eigenvalues --    0.37516   0.37885   0.38025   0.38736   0.38980
 Alpha virt. eigenvalues --    0.39512   0.39861   0.40109   0.40694   0.41150
 Alpha virt. eigenvalues --    0.41353   0.41800   0.42113   0.42313   0.42643
 Alpha virt. eigenvalues --    0.42786   0.43074   0.43222   0.43570   0.44131
 Alpha virt. eigenvalues --    0.44506   0.44684   0.45131   0.45369   0.45633
 Alpha virt. eigenvalues --    0.45982   0.46356   0.46604   0.46972   0.47260
 Alpha virt. eigenvalues --    0.47435   0.47748   0.48312   0.49146   0.49659
 Alpha virt. eigenvalues --    0.49926   0.50332   0.50712   0.51316   0.51379
 Alpha virt. eigenvalues --    0.51724   0.52113   0.52280   0.52579   0.53290
 Alpha virt. eigenvalues --    0.53578   0.53784   0.54260   0.54729   0.54818
 Alpha virt. eigenvalues --    0.55065   0.55548   0.56290   0.56914   0.57164
 Alpha virt. eigenvalues --    0.57853   0.58147   0.58392   0.58806   0.59091
 Alpha virt. eigenvalues --    0.59489   0.59590   0.60006   0.60388   0.61173
 Alpha virt. eigenvalues --    0.61426   0.61529   0.62805   0.63041   0.63919
 Alpha virt. eigenvalues --    0.64265   0.64445   0.64722   0.65332   0.65670
 Alpha virt. eigenvalues --    0.65803   0.66334   0.66775   0.67340   0.67793
 Alpha virt. eigenvalues --    0.68787   0.69149   0.69379   0.69770   0.69943
 Alpha virt. eigenvalues --    0.70207   0.71147   0.71825   0.72025   0.72536
 Alpha virt. eigenvalues --    0.73273   0.73630   0.73746   0.75392   0.76001
 Alpha virt. eigenvalues --    0.76453   0.76818   0.76928   0.77233   0.77987
 Alpha virt. eigenvalues --    0.78724   0.79581   0.80075   0.80857   0.81021
 Alpha virt. eigenvalues --    0.81888   0.82531   0.83272   0.83780   0.84906
 Alpha virt. eigenvalues --    0.85259   0.85753   0.86143   0.86712   0.87764
 Alpha virt. eigenvalues --    0.88764   0.89155   0.90434   0.91113   0.92213
 Alpha virt. eigenvalues --    0.92636   0.93549   0.94362   0.95931   0.97232
 Alpha virt. eigenvalues --    0.97785   0.98223   0.99145   1.00489   1.01525
 Alpha virt. eigenvalues --    1.02113   1.03665   1.04342   1.05715   1.06684
 Alpha virt. eigenvalues --    1.06891   1.07483   1.08193   1.09042   1.09420
 Alpha virt. eigenvalues --    1.10085   1.10964   1.11533   1.12099   1.13142
 Alpha virt. eigenvalues --    1.13260   1.13692   1.14600   1.15020   1.16371
 Alpha virt. eigenvalues --    1.16733   1.17435   1.17703   1.18163   1.21296
 Alpha virt. eigenvalues --    1.22400   1.23532   1.25579   1.26231   1.26883
 Alpha virt. eigenvalues --    1.27117   1.28688   1.29799   1.29848   1.31336
 Alpha virt. eigenvalues --    1.32294   1.32814   1.34036   1.34166   1.34986
 Alpha virt. eigenvalues --    1.36222   1.37887   1.38206   1.39373   1.40599
 Alpha virt. eigenvalues --    1.41924   1.43450   1.44139   1.45056   1.45882
 Alpha virt. eigenvalues --    1.46357   1.46762   1.47539   1.48612   1.50906
 Alpha virt. eigenvalues --    1.52637   1.53617   1.54303   1.55493   1.57329
 Alpha virt. eigenvalues --    1.57648   1.60199   1.61936   1.62145   1.64083
 Alpha virt. eigenvalues --    1.65881   1.66889   1.69140   1.70071   1.71439
 Alpha virt. eigenvalues --    1.71952   1.72963   1.74924   1.75743   1.77642
 Alpha virt. eigenvalues --    1.78324   1.80064   1.81022   1.81355   1.83039
 Alpha virt. eigenvalues --    1.83499   1.84189   1.84659   1.85718   1.87333
 Alpha virt. eigenvalues --    1.87890   1.89558   1.90845   1.91307   1.91794
 Alpha virt. eigenvalues --    1.93374   1.94348   1.95146   1.95806   1.97037
 Alpha virt. eigenvalues --    1.98271   1.98794   2.00281   2.00774   2.01576
 Alpha virt. eigenvalues --    2.02529   2.03256   2.04460   2.05565   2.05850
 Alpha virt. eigenvalues --    2.07695   2.09366   2.10146   2.11437   2.11708
 Alpha virt. eigenvalues --    2.12228   2.14389   2.14624   2.15249   2.16096
 Alpha virt. eigenvalues --    2.17679   2.17932   2.19150   2.19604   2.20385
 Alpha virt. eigenvalues --    2.21574   2.22363   2.23049   2.25273   2.25589
 Alpha virt. eigenvalues --    2.26202   2.27744   2.28712   2.29565   2.30455
 Alpha virt. eigenvalues --    2.31670   2.32490   2.34099   2.35284   2.36559
 Alpha virt. eigenvalues --    2.37586   2.39860   2.40949   2.42056   2.43316
 Alpha virt. eigenvalues --    2.44247   2.47342   2.49200   2.49691   2.52263
 Alpha virt. eigenvalues --    2.52495   2.52790   2.54036   2.56931   2.57499
 Alpha virt. eigenvalues --    2.58702   2.60801   2.62955   2.64563   2.66015
 Alpha virt. eigenvalues --    2.66175   2.67584   2.70559   2.71726   2.73991
 Alpha virt. eigenvalues --    2.75387   2.75658   2.76476   2.77472   2.78531
 Alpha virt. eigenvalues --    2.79498   2.80912   2.82044   2.82463   2.90436
 Alpha virt. eigenvalues --    2.93301   2.95612   2.95693   2.98389   3.01880
 Alpha virt. eigenvalues --    3.03269   3.04216   3.05219   3.08406   3.09719
 Alpha virt. eigenvalues --    3.10728   3.12658   3.13713   3.14523   3.15734
 Alpha virt. eigenvalues --    3.16975   3.19268   3.22271   3.22829   3.25096
 Alpha virt. eigenvalues --    3.25640   3.26596   3.28389   3.30372   3.31772
 Alpha virt. eigenvalues --    3.32830   3.35603   3.36822   3.45794   3.47847
 Alpha virt. eigenvalues --    3.72124   3.75912   3.91596   4.04437
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    8.357953  -1.144631  -1.025940   0.795677   0.305164  -0.050557
     2  C   -1.144631  12.317643   0.640467  -0.890233   0.719630  -1.487819
     3  C   -1.025940   0.640467   9.301546  -1.218500  -0.197807   0.164351
     4  C    0.795677  -0.890233  -1.218500  12.251768  -1.460707   0.722260
     5  C    0.305164   0.719630  -0.197807  -1.460707   8.813849  -1.371473
     6  C   -0.050557  -1.487819   0.164351   0.722260  -1.371473   8.961462
     7  C   -0.935188   0.196701  -0.015705   0.140099   0.017945  -0.863180
     8  C    0.002244  -0.001361  -0.002975  -0.002687   0.005425   0.007453
     9  C   -0.009815  -0.019373   0.000116   0.000020  -0.000926  -0.000452
    10  C    0.026371  -0.048880  -0.005402  -0.002573   0.004032  -0.009646
    11  C    0.016006   0.124711  -1.091344   0.321828  -0.784368   0.010685
    12  C    0.003281   0.004940  -0.159818   0.139614  -0.164662  -0.000473
    13  O    0.000752   0.001021   0.026306  -0.080016   0.012696   0.009027
    14  O   -0.001223   0.000381   0.013544  -0.000944   0.000282   0.000195
    15  H    0.526309  -1.403775  -0.631596  -0.065920   0.129385   0.093845
    16  H   -0.644150  -0.078098   0.482430  -1.688338   0.117219   0.148813
    17  H    0.129879  -0.044344   0.053525  -1.244327   0.514348  -0.321875
    18  H    0.066274  -1.352570   0.162323   0.026052  -0.619133   0.382837
    19  H    0.129964  -0.084205  -0.001671  -0.011210  -0.006671   0.033762
    20  H   -0.075471  -0.158918   0.018550   0.004997   0.008253   0.069872
    21  H   -0.038782  -0.007777   0.000789  -0.000264   0.006704  -0.096177
    22  H   -0.002248  -0.000778   0.000047   0.000006  -0.000164   0.000653
    23  H    0.000604   0.005073  -0.000090  -0.000023   0.000085  -0.002640
    24  H    0.001372   0.004303  -0.000016  -0.000013  -0.000029   0.001116
    25  H    0.002810  -0.025267   0.000739   0.000191  -0.000207  -0.000040
    26  H    0.006785   0.022277   0.000843  -0.004173   0.001400   0.017549
    27  H   -0.010334   0.008538   0.001235   0.000518   0.000119  -0.007367
    28  H    0.005084   0.000812  -0.081735  -0.332046   0.099368   0.011278
    29  C    0.001079   0.004141  -0.023927   0.001531  -0.051905  -0.005159
    30  H   -0.000174  -0.000318  -0.000043   0.001491  -0.001084  -0.000085
    31  H    0.000055   0.000851  -0.004388  -0.012085  -0.011735   0.004765
    32  H    0.000130  -0.000214  -0.012817   0.001650  -0.001030  -0.000847
    33  H   -0.002979   0.002744   0.032909  -0.055596   0.000614  -0.000250
               7          8          9         10         11         12
     1  C   -0.935188   0.002244  -0.009815   0.026371   0.016006   0.003281
     2  C    0.196701  -0.001361  -0.019373  -0.048880   0.124711   0.004940
     3  C   -0.015705  -0.002975   0.000116  -0.005402  -1.091344  -0.159818
     4  C    0.140099  -0.002687   0.000020  -0.002573   0.321828   0.139614
     5  C    0.017945   0.005425  -0.000926   0.004032  -0.784368  -0.164662
     6  C   -0.863180   0.007453  -0.000452  -0.009646   0.010685  -0.000473
     7  C    6.929976   0.181206  -0.012658  -0.054126  -0.002571  -0.000206
     8  C    0.181206   5.987256   0.332547   0.427614  -0.000067   0.000193
     9  C   -0.012658   0.332547   4.316979  -0.039618   0.000003  -0.000003
    10  C   -0.054126   0.427614  -0.039618   4.151310  -0.000131  -0.000058
    11  C   -0.002571  -0.000067   0.000003  -0.000131   7.593536   0.367805
    12  C   -0.000206   0.000193  -0.000003  -0.000058   0.367805   4.861629
    13  O   -0.000091  -0.000022   0.000000   0.000010  -0.105857   0.221981
    14  O    0.000064  -0.000086   0.000001  -0.000091  -0.058527  -0.060127
    15  H   -0.356965  -0.000080  -0.003875   0.028637   0.017707   0.003679
    16  H    0.008585   0.000098   0.000031  -0.000943  -0.448744  -0.080747
    17  H    0.006714   0.001501  -0.000078  -0.000243  -0.293271  -0.042250
    18  H   -0.405870   0.003400   0.005443  -0.000183   0.000272   0.006183
    19  H   -0.002672   0.052479  -0.086467   0.011155  -0.000052   0.000067
    20  H    0.145615   0.025486   0.020720  -0.015878  -0.000124  -0.000067
    21  H    0.098888   0.126826  -0.049834   0.009874  -0.000035  -0.000016
    22  H   -0.001909  -0.031032   0.402075   0.004923   0.000000  -0.000000
    23  H    0.003222   0.168708   0.117949  -0.009429   0.000000   0.000000
    24  H    0.006627   0.141863   0.194848  -0.013714  -0.000001   0.000000
    25  H   -0.024023   0.106471  -0.005564   0.199326   0.000016  -0.000005
    26  H   -0.109306   0.125059   0.003414   0.253624  -0.000259   0.000097
    27  H    0.044205   0.110018  -0.008084   0.193312   0.000001  -0.000004
    28  H   -0.000052   0.000061  -0.000000  -0.000022   0.195820  -0.132178
    29  C   -0.000104  -0.000015   0.000000  -0.000001   0.375224  -0.011077
    30  H   -0.000000  -0.000001   0.000000   0.000004   0.008810   0.138513
    31  H    0.000021  -0.000001   0.000000  -0.000000   0.085796  -0.003187
    32  H   -0.000000  -0.000000   0.000000  -0.000000   0.153391  -0.003806
    33  H   -0.000006   0.000001  -0.000000   0.000000   0.131503   0.007274
              13         14         15         16         17         18
     1  C    0.000752  -0.001223   0.526309  -0.644150   0.129879   0.066274
     2  C    0.001021   0.000381  -1.403775  -0.078098  -0.044344  -1.352570
     3  C    0.026306   0.013544  -0.631596   0.482430   0.053525   0.162323
     4  C   -0.080016  -0.000944  -0.065920  -1.688338  -1.244327   0.026052
     5  C    0.012696   0.000282   0.129385   0.117219   0.514348  -0.619133
     6  C    0.009027   0.000195   0.093845   0.148813  -0.321875   0.382837
     7  C   -0.000091   0.000064  -0.356965   0.008585   0.006714  -0.405870
     8  C   -0.000022  -0.000086  -0.000080   0.000098   0.001501   0.003400
     9  C    0.000000   0.000001  -0.003875   0.000031  -0.000078   0.005443
    10  C    0.000010  -0.000091   0.028637  -0.000943  -0.000243  -0.000183
    11  C   -0.105857  -0.058527   0.017707  -0.448744  -0.293271   0.000272
    12  C    0.221981  -0.060127   0.003679  -0.080747  -0.042250   0.006183
    13  O    8.414275   0.008722  -0.000277   0.008279   0.023186  -0.000563
    14  O    0.008722   8.391325  -0.000155  -0.000386   0.001876  -0.000458
    15  H   -0.000277  -0.000155   3.038990  -0.916416  -0.017970   0.059742
    16  H    0.008279  -0.000386  -0.916416   3.293226   0.055938  -0.021246
    17  H    0.023186   0.001876  -0.017970   0.055938   2.387232  -0.654526
    18  H   -0.000563  -0.000458   0.059742  -0.021246  -0.654526   3.024896
    19  H   -0.000014   0.000003   0.023310  -0.000762  -0.002578   0.025016
    20  H    0.000006   0.000013  -0.027369   0.000373  -0.000030   0.021629
    21  H   -0.000011   0.000008  -0.010585   0.000484   0.000987  -0.081260
    22  H    0.000000  -0.000000  -0.000250   0.000000  -0.000003   0.001691
    23  H   -0.000000   0.000000   0.000253  -0.000000   0.000002  -0.000860
    24  H   -0.000000   0.000000   0.000274  -0.000002  -0.000004   0.000794
    25  H    0.000001  -0.000007  -0.008219   0.000307  -0.000012   0.000345
    26  H    0.000000   0.000106   0.010179   0.000923   0.000020   0.003358
    27  H   -0.000000  -0.000012  -0.004717   0.000104   0.000039  -0.001047
    28  H    0.000652  -0.068181  -0.002799   0.042330   0.015468  -0.000560
    29  C    0.013554   0.027580   0.001676  -0.041154  -0.003054   0.001848
    30  H   -0.063548   0.144710  -0.000006   0.000253   0.000412   0.000019
    31  H    0.014225   0.000492   0.000104  -0.001124  -0.008026   0.000905
    32  H   -0.003467   0.002159   0.000040  -0.004616   0.002975  -0.000052
    33  H    0.004247   0.000306  -0.000430   0.013438  -0.009009   0.000465
              19         20         21         22         23         24
     1  C    0.129964  -0.075471  -0.038782  -0.002248   0.000604   0.001372
     2  C   -0.084205  -0.158918  -0.007777  -0.000778   0.005073   0.004303
     3  C   -0.001671   0.018550   0.000789   0.000047  -0.000090  -0.000016
     4  C   -0.011210   0.004997  -0.000264   0.000006  -0.000023  -0.000013
     5  C   -0.006671   0.008253   0.006704  -0.000164   0.000085  -0.000029
     6  C    0.033762   0.069872  -0.096177   0.000653  -0.002640   0.001116
     7  C   -0.002672   0.145615   0.098888  -0.001909   0.003222   0.006627
     8  C    0.052479   0.025486   0.126826  -0.031032   0.168708   0.141863
     9  C   -0.086467   0.020720  -0.049834   0.402075   0.117949   0.194848
    10  C    0.011155  -0.015878   0.009874   0.004923  -0.009429  -0.013714
    11  C   -0.000052  -0.000124  -0.000035   0.000000   0.000000  -0.000001
    12  C    0.000067  -0.000067  -0.000016  -0.000000   0.000000   0.000000
    13  O   -0.000014   0.000006  -0.000011   0.000000  -0.000000  -0.000000
    14  O    0.000003   0.000013   0.000008  -0.000000   0.000000   0.000000
    15  H    0.023310  -0.027369  -0.010585  -0.000250   0.000253   0.000274
    16  H   -0.000762   0.000373   0.000484   0.000000  -0.000000  -0.000002
    17  H   -0.002578  -0.000030   0.000987  -0.000003   0.000002  -0.000004
    18  H    0.025016   0.021629  -0.081260   0.001691  -0.000860   0.000794
    19  H    1.050715  -0.286823   0.082957  -0.028220   0.009105   0.009351
    20  H   -0.286823   1.063163  -0.032994   0.005248  -0.039056   0.000062
    21  H    0.082957  -0.032994   1.214628  -0.011045  -0.001820   0.026295
    22  H   -0.028220   0.005248  -0.011045   0.726341  -0.087628  -0.024331
    23  H    0.009105  -0.039056  -0.001820  -0.087628   0.733380  -0.001308
    24  H    0.009351   0.000062   0.026295  -0.024331  -0.001308   0.705193
    25  H   -0.008917   0.041464  -0.014238  -0.002073   0.010882  -0.009707
    26  H   -0.000646  -0.007059  -0.032893  -0.002296   0.000302   0.002486
    27  H   -0.002783   0.000120   0.047113   0.007495  -0.018043   0.010400
    28  H    0.000008  -0.000016  -0.000000  -0.000000  -0.000000   0.000000
    29  C   -0.000002   0.000025   0.000002  -0.000000  -0.000000   0.000000
    30  H   -0.000000  -0.000000  -0.000000   0.000000   0.000000  -0.000000
    31  H    0.000005   0.000002   0.000001   0.000000   0.000000   0.000000
    32  H    0.000000  -0.000000   0.000000   0.000000   0.000000  -0.000000
    33  H   -0.000001  -0.000002   0.000000  -0.000000  -0.000000   0.000000
              25         26         27         28         29         30
     1  C    0.002810   0.006785  -0.010334   0.005084   0.001079  -0.000174
     2  C   -0.025267   0.022277   0.008538   0.000812   0.004141  -0.000318
     3  C    0.000739   0.000843   0.001235  -0.081735  -0.023927  -0.000043
     4  C    0.000191  -0.004173   0.000518  -0.332046   0.001531   0.001491
     5  C   -0.000207   0.001400   0.000119   0.099368  -0.051905  -0.001084
     6  C   -0.000040   0.017549  -0.007367   0.011278  -0.005159  -0.000085
     7  C   -0.024023  -0.109306   0.044205  -0.000052  -0.000104  -0.000000
     8  C    0.106471   0.125059   0.110018   0.000061  -0.000015  -0.000001
     9  C   -0.005564   0.003414  -0.008084  -0.000000   0.000000   0.000000
    10  C    0.199326   0.253624   0.193312  -0.000022  -0.000001   0.000004
    11  C    0.000016  -0.000259   0.000001   0.195820   0.375224   0.008810
    12  C   -0.000005   0.000097  -0.000004  -0.132178  -0.011077   0.138513
    13  O    0.000001   0.000000  -0.000000   0.000652   0.013554  -0.063548
    14  O   -0.000007   0.000106  -0.000012  -0.068181   0.027580   0.144710
    15  H   -0.008219   0.010179  -0.004717  -0.002799   0.001676  -0.000006
    16  H    0.000307   0.000923   0.000104   0.042330  -0.041154   0.000253
    17  H   -0.000012   0.000020   0.000039   0.015468  -0.003054   0.000412
    18  H    0.000345   0.003358  -0.001047  -0.000560   0.001848   0.000019
    19  H   -0.008917  -0.000646  -0.002783   0.000008  -0.000002  -0.000000
    20  H    0.041464  -0.007059   0.000120  -0.000016   0.000025  -0.000000
    21  H   -0.014238  -0.032893   0.047113  -0.000000   0.000002  -0.000000
    22  H   -0.002073  -0.002296   0.007495  -0.000000  -0.000000   0.000000
    23  H    0.010882   0.000302  -0.018043  -0.000000  -0.000000   0.000000
    24  H   -0.009707   0.002486   0.010400   0.000000   0.000000  -0.000000
    25  H    0.654834   0.002083  -0.048300  -0.000001  -0.000000   0.000000
    26  H    0.002083   0.799487  -0.098303  -0.000006  -0.000001  -0.000007
    27  H   -0.048300  -0.098303   0.854033  -0.000000  -0.000000   0.000000
    28  H   -0.000001  -0.000006  -0.000000   1.327661  -0.212459  -0.005986
    29  C   -0.000000  -0.000001  -0.000000  -0.212459   4.306429   0.001405
    30  H    0.000000  -0.000007   0.000000  -0.005986   0.001405   0.588374
    31  H   -0.000000  -0.000001   0.000000  -0.005662   0.304036  -0.000096
    32  H   -0.000000   0.000000   0.000000   0.006730   0.199405   0.000262
    33  H   -0.000000   0.000001  -0.000000   0.026762   0.183848  -0.000229
              31         32         33
     1  C    0.000055   0.000130  -0.002979
     2  C    0.000851  -0.000214   0.002744
     3  C   -0.004388  -0.012817   0.032909
     4  C   -0.012085   0.001650  -0.055596
     5  C   -0.011735  -0.001030   0.000614
     6  C    0.004765  -0.000847  -0.000250
     7  C    0.000021  -0.000000  -0.000006
     8  C   -0.000001  -0.000000   0.000001
     9  C    0.000000   0.000000  -0.000000
    10  C   -0.000000  -0.000000   0.000000
    11  C    0.085796   0.153391   0.131503
    12  C   -0.003187  -0.003806   0.007274
    13  O    0.014225  -0.003467   0.004247
    14  O    0.000492   0.002159   0.000306
    15  H    0.000104   0.000040  -0.000430
    16  H   -0.001124  -0.004616   0.013438
    17  H   -0.008026   0.002975  -0.009009
    18  H    0.000905  -0.000052   0.000465
    19  H    0.000005   0.000000  -0.000001
    20  H    0.000002  -0.000000  -0.000002
    21  H    0.000001   0.000000   0.000000
    22  H    0.000000   0.000000  -0.000000
    23  H    0.000000   0.000000  -0.000000
    24  H    0.000000  -0.000000   0.000000
    25  H   -0.000000  -0.000000  -0.000000
    26  H   -0.000001   0.000000   0.000001
    27  H    0.000000   0.000000  -0.000000
    28  H   -0.005662   0.006730   0.026762
    29  C    0.304036   0.199405   0.183848
    30  H   -0.000096   0.000262  -0.000229
    31  H    0.577274   0.014810   0.002689
    32  H    0.014810   0.600652  -0.051088
    33  H    0.002689  -0.051088   0.702416
 Mulliken charges:
               1
     1  C   -0.436302
     2  C   -1.305671
     3  C   -0.425946
     4  C   -1.338048
     5  C   -0.084616
     6  C   -0.421884
     7  C    1.004766
     8  C   -1.767582
     9  C    0.842603
    10  C    0.890747
    11  C   -0.617763
    12  C    0.903427
    13  O   -0.505072
    14  O   -0.401568
    15  H    0.517275
    16  H    0.753896
    17  H    0.447493
    18  H    0.344835
    19  H    0.095793
    20  H    0.218211
    21  H   -0.237826
    22  H    0.043498
    23  H    0.111331
    24  H   -0.055861
    25  H    0.127110
    26  H    0.004956
    27  H   -0.078253
    28  H    0.109672
    29  C    0.927074
    30  H    0.187325
    31  H    0.040273
    32  H    0.095734
    33  H    0.010372
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.080973
     2  C   -1.305671
     3  C    0.327950
     4  C   -1.338048
     5  C    0.362877
     6  C   -0.077049
     7  C    1.318771
     8  C   -2.005407
     9  C    0.941570
    10  C    0.944561
    11  C   -0.508091
    12  C    0.903427
    13  O   -0.505072
    14  O   -0.214243
    29  C    1.073453
 Electronic spatial extent (au):  <R**2>=           4601.3144
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.0708    Y=             -0.0600    Z=              1.2660  Tot=              1.6592
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -90.8548   YY=            -89.2116   ZZ=            -91.8391
   XY=             -0.1911   XZ=             -6.7841   YZ=             -0.1334
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.2197   YY=              1.4236   ZZ=             -1.2039
   XY=             -0.1911   XZ=             -6.7841   YZ=             -0.1334
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -14.0227  YYY=             40.5533  ZZZ=              4.1748  XYY=            -26.6859
  XXY=              2.8975  XXZ=             26.3393  XZZ=              8.9298  YZZ=             -6.7304
  YYZ=             -2.6724  XYZ=             -4.7168
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5015.3361 YYYY=           -641.8200 ZZZZ=           -517.8074 XXXY=            -33.9795
 XXXZ=            -98.8043 YYYX=           -110.1369 YYYZ=             -2.1143 ZZZX=            -13.3957
 ZZZY=              0.6759 XXYY=           -867.2753 XXZZ=           -962.6223 YYZZ=           -222.5786
 XXYZ=             11.7359 YYXZ=             -4.7729 ZZXY=              5.6996
 N-N= 9.729722511672D+02 E-N=-3.468357399701D+03  KE= 6.487247943332D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep  8 14:24:58 2021, MaxMem=  6442450944 cpu:               4.6 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.03530702D-01-1.96657508D-03 4.77743365D-01
 Polarizability= 2.06967458D+02-4.63355540D-01 1.26884029D+02
                 2.01431848D-01-5.06064516D-02 1.45142815D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.2967   -0.3026       -0.4229   -0.4215
 2      0.2967    0.3026        0.0518    0.0509      -41.7309  -41.7318
 3      0.4229    0.4215       32.0500   32.0484       -0.0508   -0.0509
 4     -0.0518   -0.0509       -0.0000    0.0000        0.4256    0.4215
 5      9.6809    9.6834       -0.4256   -0.4215       -0.2990   -0.3026
 6      0.0508    0.0509        0.2990    0.3026       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.9078    0.9078       -1.2645   -1.2645
 2     -0.1528   -0.1528        0.0000    0.0000       -1.2645   -1.2645
 3     -0.1528   -0.1528        0.9078    0.9078       -0.0000    0.0000
 4      0.9078    0.9078        0.1528    0.1528     -125.1954 -125.1954
 5      1.2645    1.2645       96.1451   96.1451       -0.1528   -0.1528
 6     29.0502   29.0502       -1.2645   -1.2645       -0.9078   -0.9078
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1027    0.0000        2.0672    1.2103        1.8453    1.6861
 2     -1.5682   -1.2103       -0.2674   -0.2037      167.0023  166.9271
 3     -1.9442   -1.6861     -128.2260 -128.1935        0.2782    0.2037
 4      0.1670    0.2037        0.2994    0.0000       -1.8535   -1.6861
 5    -38.3816  -38.7336        1.7282    1.6861        1.1634    1.2103
 6     -0.2770   -0.2037       -1.2736   -1.2103        0.1041    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2709    0.0000      -73.4841  -74.1053       44.8772   45.2047
 2     74.4323   74.1053        7.9532    7.9831      -22.8346  -23.3422
 3    -45.2596  -45.2047       10.4350   10.4588       -8.8811   -7.9831
 4     -7.6655   -7.9831       -0.8315    0.0000      -45.3596  -45.2047
 5     12.2270   12.8834       45.7724   45.2047      -74.6211  -74.1053
 6      7.5470    7.9831       74.3013   74.1053        0.1915    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -18.8444  -19.1817       -8.1615   -8.2426      -57.7130  -58.0786
 2    -26.9296  -27.8139      -66.3820  -65.9946      -58.6668  -58.0786
 3    -26.8611  -27.8139       -8.8988   -8.2426     -108.1500 -107.8012
 4     58.0953   57.7521        8.9038    8.6322      -12.8833  -13.7294
 5    -50.1560  -49.7226        7.0283    7.2588       -9.2223   -8.6322
 6      5.1854    6.4705       50.7006   49.7226      -58.1732  -57.7521
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.3361   -0.0008   -0.0008   -0.0007    2.5083    3.8064
 Low frequencies ---   25.4144   35.9025   46.6889
 Diagonal vibrational polarizability:
       45.5261352      24.1615779       6.1822011
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     25.4009                35.8993                46.6858
 Red. masses --      3.4921                 6.1249                 4.4143
 Frc consts  --      0.0013                 0.0047                 0.0057
 IR Inten    --      0.2749                 0.9499                 0.7728
 RamAct Fr= 1--      0.2371                 0.8268                 1.5545
  Dep-P Fr= 1--      0.7173                 0.7120                 0.7497
  Dep-U Fr= 1--      0.8354                 0.8318                 0.8570
 Alpha2 Fr= 1--      0.0001                 0.0005                 0.0000
 Beta2  Fr= 1--      0.0330                 0.1146                 0.2220
 AlphaG Fr= 1--      0.0004                 0.0032                 0.0004
 Gamma2 Fr= 1--     -0.5190                -0.0283                 0.5480
 Delta2 Fr= 1--     -0.5243                 0.2991                 0.0518
 Raman1 Fr= 1--       0.948                  3.307                  6.218
 ROA1   Fr= 1--     -66.606                  6.851                 54.267
 CID1   Fr= 1--     -70.239                  2.072                  8.728
 Raman2 Fr= 1--       0.396                  1.375                  2.664
 ROA2   Fr= 1--      -8.263                 -3.073                 12.738
 CID2   Fr= 1--     -20.861                 -2.234                  4.781
 Raman3 Fr= 1--       0.792                  2.751                  5.328
 ROA3   Fr= 1--     -66.606                  6.851                 54.267
 CID3   Fr= 1--     -84.079                  2.490                 10.184
 RC180  Fr= 1--       0.671                  0.664                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03  -0.05    -0.00  -0.05  -0.01     0.02   0.06  -0.02
     2   6    -0.00   0.02  -0.06    -0.01  -0.07  -0.02    -0.00  -0.06  -0.03
     3   6     0.03  -0.01  -0.01    -0.00  -0.06  -0.01     0.03   0.07  -0.00
     4   6     0.01   0.05   0.01    -0.01  -0.08  -0.01     0.00  -0.04   0.00
     5   6    -0.02   0.10  -0.00    -0.01  -0.12  -0.01    -0.03  -0.18  -0.02
     6   6    -0.02   0.08  -0.04    -0.01  -0.11  -0.02    -0.03  -0.19  -0.03
     7   6    -0.01  -0.00  -0.10    -0.00   0.01  -0.02    -0.00  -0.00  -0.06
     8   6     0.02   0.02   0.06    -0.08   0.06   0.02    -0.07   0.06   0.04
     9   6     0.01   0.01  -0.02    -0.06   0.17   0.06    -0.08   0.14  -0.09
    10   6     0.10  -0.12   0.21    -0.18   0.03   0.04    -0.03  -0.07   0.16
    11   6     0.01   0.04   0.05     0.00  -0.00  -0.00     0.01   0.02   0.03
    12   6    -0.04  -0.02  -0.04     0.08   0.03  -0.00     0.08   0.03  -0.01
    13   8    -0.11  -0.13  -0.03    -0.14   0.01   0.07     0.27   0.05  -0.07
    14   8    -0.00   0.06  -0.14     0.45   0.07  -0.10    -0.10   0.01   0.04
    15   1     0.04  -0.08  -0.07     0.01  -0.03  -0.02     0.04   0.15  -0.02
    16   1     0.05  -0.05  -0.00     0.01  -0.03  -0.01     0.05   0.17   0.01
    17   1    -0.04   0.14   0.02    -0.02  -0.14  -0.01    -0.05  -0.27  -0.01
    18   1    -0.04   0.12  -0.05    -0.02  -0.13  -0.02    -0.05  -0.29  -0.04
    19   1    -0.04   0.09  -0.19     0.04   0.05  -0.04     0.01   0.08  -0.13
    20   1    -0.00  -0.13  -0.16     0.02   0.01  -0.03     0.03  -0.06  -0.10
    21   1     0.00   0.16   0.13    -0.09   0.05   0.02    -0.15   0.14   0.11
    22   1    -0.04   0.12  -0.13     0.00   0.19   0.05    -0.11   0.24  -0.18
    23   1     0.03  -0.13  -0.10    -0.06   0.19   0.06    -0.00   0.06  -0.17
    24   1     0.03   0.03   0.09    -0.12   0.20   0.08    -0.13   0.19  -0.02
    25   1     0.12  -0.27   0.14    -0.18   0.04   0.04     0.05  -0.15   0.09
    26   1     0.11  -0.11   0.27    -0.19  -0.03   0.01    -0.02  -0.12   0.25
    27   1     0.12  -0.11   0.32    -0.22   0.06   0.06    -0.07  -0.03   0.22
    28   1     0.04   0.12   0.05     0.01   0.02  -0.00     0.03   0.06   0.03
    29   6     0.02  -0.03   0.17    -0.07   0.04   0.01    -0.06   0.05   0.06
    30   1    -0.04   0.01  -0.20     0.48   0.08  -0.10    -0.04   0.02   0.01
    31   1    -0.00  -0.11   0.17    -0.08   0.00   0.02    -0.10   0.02   0.06
    32   1     0.02  -0.04   0.19    -0.07   0.11   0.01    -0.06   0.10   0.09
    33   1     0.05   0.02   0.24    -0.14   0.02   0.03    -0.10   0.04   0.07
                      4                      5                      6
                      A                      A                      A
 Frequencies --     53.2514                63.8777               113.7648
 Red. masses --      3.7305                 3.2120                 4.4565
 Frc consts  --      0.0062                 0.0077                 0.0340
 IR Inten    --      0.4958                 0.0398                 0.0880
 RamAct Fr= 1--      3.0544                 1.8654                 2.3087
  Dep-P Fr= 1--      0.7342                 0.7476                 0.7247
  Dep-U Fr= 1--      0.8468                 0.8556                 0.8404
 Alpha2 Fr= 1--      0.0008                 0.0001                 0.0010
 Beta2  Fr= 1--      0.4311                 0.2660                 0.3234
 AlphaG Fr= 1--      0.0004                 0.0001                -0.0021
 Gamma2 Fr= 1--      0.6343                -0.8215                 1.1722
 Delta2 Fr= 1--      0.7992                -0.5042                 0.6602
 Raman1 Fr= 1--      12.218                  7.462                  9.235
 ROA1   Fr= 1--      86.468                -94.999                133.659
 CID1   Fr= 1--       7.077                -12.732                 14.473
 Raman2 Fr= 1--       5.173                  3.192                  3.880
 ROA2   Fr= 1--       8.830                -15.682                 22.852
 CID2   Fr= 1--       1.707                 -4.913                  5.889
 Raman3 Fr= 1--      10.346                  6.384                  7.761
 ROA3   Fr= 1--      86.468                -94.999                133.659
 CID3   Fr= 1--       8.358                -14.881                 17.222
 RC180  Fr= 1--       0.694                  0.711                  0.681
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.19   0.03     0.05   0.12  -0.08    -0.04   0.06  -0.03
     2   6    -0.01   0.06   0.03     0.01   0.01  -0.10    -0.06   0.15  -0.04
     3   6    -0.03   0.16  -0.00     0.05   0.13  -0.05    -0.05  -0.07  -0.00
     4   6    -0.02  -0.01  -0.03     0.01   0.02  -0.04    -0.08  -0.11   0.01
     5   6    -0.01  -0.11  -0.02    -0.02  -0.07  -0.06    -0.10  -0.02   0.00
     6   6    -0.00  -0.08   0.01    -0.03  -0.08  -0.09    -0.09   0.12  -0.02
     7   6    -0.01   0.03   0.04     0.01  -0.02  -0.11    -0.06   0.13  -0.05
     8   6     0.03   0.01   0.04     0.06  -0.02   0.01     0.07   0.07  -0.01
     9   6    -0.00  -0.06  -0.11     0.10  -0.04   0.24     0.06  -0.11   0.07
    10   6     0.19  -0.03   0.11    -0.09  -0.02  -0.02     0.14   0.09  -0.01
    11   6    -0.03  -0.06  -0.06     0.02   0.01   0.02    -0.08  -0.08   0.04
    12   6    -0.05  -0.03   0.02    -0.03  -0.00   0.04     0.07  -0.05   0.00
    13   8    -0.16   0.02   0.06    -0.07   0.00   0.06     0.19  -0.03  -0.04
    14   8     0.08  -0.05   0.04    -0.05  -0.01   0.06     0.12  -0.06  -0.00
    15   1    -0.03   0.30   0.05     0.07   0.19  -0.09    -0.02   0.07  -0.05
    16   1    -0.04   0.25  -0.00     0.08   0.21  -0.03    -0.04  -0.13   0.00
    17   1    -0.00  -0.22  -0.04    -0.05  -0.15  -0.05    -0.13  -0.03   0.02
    18   1     0.01  -0.17   0.01    -0.06  -0.16  -0.11    -0.11   0.18  -0.03
    19   1    -0.03   0.03   0.04    -0.00   0.04  -0.16    -0.10   0.13  -0.06
    20   1    -0.02   0.02   0.04    -0.02  -0.10  -0.13    -0.09   0.07  -0.06
    21   1    -0.03   0.08   0.10     0.20  -0.00  -0.06     0.16   0.12  -0.03
    22   1    -0.12  -0.01  -0.18     0.22  -0.06   0.28     0.03  -0.12   0.08
    23   1     0.05  -0.15  -0.19    -0.05  -0.03   0.33    -0.04  -0.18   0.10
    24   1     0.03  -0.07  -0.09     0.15  -0.05   0.30     0.20  -0.17   0.12
    25   1     0.29  -0.09   0.04    -0.27  -0.05   0.06     0.06   0.03   0.00
    26   1     0.22   0.00   0.24    -0.11   0.04  -0.20     0.15   0.20  -0.06
    27   1     0.20  -0.04   0.10     0.01  -0.04   0.07     0.25   0.03   0.01
    28   1    -0.06  -0.13  -0.06     0.06  -0.00   0.03    -0.06  -0.05   0.04
    29   6     0.01  -0.03  -0.15     0.01  -0.00   0.05    -0.18  -0.04   0.07
    30   1     0.06  -0.03   0.09    -0.09  -0.01   0.07     0.26  -0.03  -0.03
    31   1     0.02   0.04  -0.15    -0.05   0.00   0.04    -0.19  -0.08   0.07
    32   1     0.01  -0.06  -0.16     0.01  -0.02   0.10    -0.17   0.06   0.07
    33   1     0.02  -0.06  -0.20     0.05  -0.00   0.03    -0.26  -0.06   0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    152.6235               208.2750               224.7085
 Red. masses --      3.8044                 2.3701                 1.2073
 Frc consts  --      0.0522                 0.0606                 0.0359
 IR Inten    --      0.0890                 0.5985                 0.4957
 RamAct Fr= 1--      0.7547                 0.3284                 0.0537
  Dep-P Fr= 1--      0.1317                 0.1766                 0.7413
  Dep-U Fr= 1--      0.2328                 0.3001                 0.8514
 Alpha2 Fr= 1--      0.0122                 0.0047                 0.0000
 Beta2  Fr= 1--      0.0293                 0.0164                 0.0076
 AlphaG Fr= 1--      0.0026                -0.0064                -0.0001
 Gamma2 Fr= 1--      0.0307                -0.3580                 0.0625
 Delta2 Fr= 1--     -0.0563                -0.0417                 0.0522
 Raman1 Fr= 1--       3.019                  1.314                  0.215
 ROA1   Fr= 1--       1.141                -35.704                  7.667
 CID1   Fr= 1--       0.378                -27.181                 35.694
 Raman2 Fr= 1--       0.351                  0.197                  0.091
 ROA2   Fr= 1--       1.186                 -8.258                  1.082
 CID2   Fr= 1--       3.376                -41.891                 11.836
 Raman3 Fr= 1--       0.703                  0.394                  0.183
 ROA3   Fr= 1--       1.141                -35.704                  7.667
 CID3   Fr= 1--       1.624                -90.558                 41.922
 RC180  Fr= 1--      -0.534                 -0.400                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.10   0.03    -0.04   0.05  -0.02    -0.01   0.03  -0.01
     2   6    -0.05   0.03  -0.00    -0.01   0.01  -0.00     0.01   0.01   0.00
     3   6     0.02   0.13   0.09    -0.04   0.07  -0.08    -0.01   0.03  -0.02
     4   6    -0.01   0.08   0.10     0.01   0.04  -0.11     0.00   0.00  -0.03
     5   6    -0.06   0.11   0.08     0.04   0.07  -0.09     0.02   0.02  -0.03
     6   6    -0.07   0.09   0.03     0.04   0.06  -0.04     0.02   0.03  -0.01
     7   6    -0.08  -0.05  -0.10    -0.01  -0.04   0.09     0.00  -0.02   0.02
     8   6    -0.07  -0.04  -0.04    -0.04  -0.04   0.04    -0.00  -0.02   0.01
     9   6    -0.07  -0.03  -0.00    -0.05  -0.02  -0.01    -0.00   0.01  -0.02
    10   6    -0.13  -0.10   0.00    -0.04  -0.02   0.01    -0.02  -0.03   0.01
    11   6    -0.01  -0.04   0.03     0.02  -0.02  -0.03     0.00  -0.01  -0.02
    12   6     0.05  -0.04   0.00     0.01  -0.02  -0.00     0.00  -0.01  -0.01
    13   8     0.13  -0.04  -0.02     0.05   0.04  -0.01    -0.00   0.03  -0.00
    14   8     0.10  -0.04  -0.01     0.06  -0.07   0.05     0.01  -0.04   0.03
    15   1     0.05   0.10   0.00    -0.07   0.06  -0.00    -0.02   0.04   0.00
    16   1     0.05   0.14   0.10    -0.08   0.09  -0.10    -0.02   0.04  -0.03
    17   1    -0.10   0.12   0.11     0.06   0.09  -0.11     0.03   0.03  -0.03
    18   1    -0.10   0.08   0.01     0.09   0.06  -0.02     0.04   0.04  -0.00
    19   1    -0.16   0.00  -0.17     0.03  -0.09   0.16     0.00  -0.03   0.03
    20   1    -0.03  -0.13  -0.16    -0.07   0.03   0.15    -0.01  -0.01   0.03
    21   1    -0.05  -0.01  -0.03    -0.08  -0.08   0.04    -0.02  -0.03   0.01
    22   1    -0.05  -0.01  -0.02    -0.07  -0.04   0.00     0.00  -0.10   0.09
    23   1    -0.09  -0.05  -0.00    -0.00   0.03  -0.02     0.06   0.18   0.03
    24   1    -0.07  -0.02   0.03    -0.08  -0.01  -0.07    -0.07   0.00  -0.18
    25   1    -0.24  -0.18   0.03     0.07   0.06  -0.01    -0.08  -0.06   0.02
    26   1    -0.14  -0.05  -0.09    -0.05  -0.11   0.09    -0.02   0.01  -0.04
    27   1    -0.05  -0.11   0.11    -0.15   0.02  -0.06     0.03  -0.04   0.05
    28   1    -0.12  -0.10   0.01     0.11   0.02  -0.01     0.02   0.02  -0.02
    29   6     0.18  -0.08  -0.12     0.00  -0.09   0.14    -0.02  -0.03   0.05
    30   1     0.20  -0.02  -0.04     0.13  -0.02   0.08     0.01  -0.02   0.06
    31   1     0.32  -0.00  -0.10    -0.37   0.01   0.07     0.36  -0.39   0.13
    32   1     0.15  -0.22  -0.25     0.04  -0.29   0.54    -0.06   0.24  -0.38
    33   1     0.23  -0.07  -0.13     0.32  -0.06  -0.04    -0.38   0.04   0.45
                     10                     11                     12
                      A                      A                      A
 Frequencies --    226.3691               249.3045               251.4715
 Red. masses --      1.0858                 2.2589                 1.2286
 Frc consts  --      0.0328                 0.0827                 0.0458
 IR Inten    --      0.0944                 0.3138                 0.0769
 RamAct Fr= 1--      0.1489                 1.6950                 0.1219
  Dep-P Fr= 1--      0.7100                 0.5369                 0.5690
  Dep-U Fr= 1--      0.8304                 0.6987                 0.7253
 Alpha2 Fr= 1--      0.0001                 0.0070                 0.0004
 Beta2  Fr= 1--      0.0206                 0.1974                 0.0147
 AlphaG Fr= 1--     -0.0010                 0.0058                 0.0050
 Gamma2 Fr= 1--     -0.1353                 0.1872                -0.2969
 Delta2 Fr= 1--     -0.0475                -0.0477                -0.0067
 Raman1 Fr= 1--       0.596                  6.780                  0.487
 ROA1   Fr= 1--     -14.507                 16.442                -28.714
 CID1   Fr= 1--     -24.349                  2.425                -58.903
 Raman2 Fr= 1--       0.247                  2.368                  0.177
 ROA2   Fr= 1--      -2.867                  4.874                 -7.071
 CID2   Fr= 1--     -11.588                  2.058                -40.000
 Raman3 Fr= 1--       0.495                  4.737                  0.354
 ROA3   Fr= 1--     -14.507                 16.442                -28.714
 CID3   Fr= 1--     -29.323                  3.471                -81.215
 RC180  Fr= 1--       0.661                  0.397                  0.451
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.01    -0.03  -0.08  -0.02    -0.01  -0.02  -0.03
     2   6     0.01   0.01   0.01    -0.04  -0.03  -0.02    -0.02  -0.02  -0.04
     3   6    -0.00  -0.01   0.01    -0.02  -0.05  -0.01    -0.00  -0.01   0.00
     4   6    -0.00  -0.01   0.00     0.00   0.03  -0.01    -0.01   0.02   0.02
     5   6     0.00  -0.00   0.01    -0.02  -0.05  -0.03    -0.04  -0.01   0.00
     6   6     0.01   0.01   0.01    -0.03  -0.09  -0.03    -0.04  -0.03  -0.03
     7   6     0.01  -0.01  -0.01    -0.04   0.07   0.02    -0.02   0.00  -0.02
     8   6     0.01  -0.01  -0.00    -0.04   0.07   0.03     0.00   0.00   0.02
     9   6     0.01   0.03  -0.03    -0.07  -0.07   0.00     0.01   0.01   0.04
    10   6     0.01  -0.03   0.02     0.05   0.10   0.02     0.05   0.02   0.01
    11   6    -0.01  -0.01   0.00     0.02   0.04  -0.01    -0.01   0.01   0.02
    12   6    -0.00  -0.00  -0.00    -0.00   0.04  -0.01    -0.00   0.01   0.01
    13   8    -0.00  -0.01  -0.00    -0.00   0.08  -0.01     0.01   0.00   0.00
    14   8    -0.00   0.00  -0.01     0.01   0.02   0.01     0.00   0.02  -0.00
    15   1    -0.00   0.01   0.01    -0.02  -0.11  -0.03     0.01  -0.04  -0.04
    16   1    -0.00  -0.01   0.01    -0.03  -0.06  -0.02     0.02  -0.01   0.01
    17   1     0.01  -0.00   0.00    -0.03  -0.05  -0.02    -0.06  -0.01   0.02
    18   1     0.01   0.01   0.01    -0.02  -0.12  -0.03    -0.07  -0.04  -0.04
    19   1    -0.02   0.00  -0.02     0.02   0.08   0.02    -0.00   0.03  -0.03
    20   1     0.02  -0.03  -0.02    -0.04   0.09   0.02    -0.04  -0.03  -0.02
    21   1     0.00   0.00   0.00    -0.03   0.09   0.03     0.00   0.01   0.02
    22   1     0.03  -0.27   0.24    -0.17  -0.11   0.02     0.04  -0.28   0.29
    23   1     0.12   0.44   0.09    -0.10  -0.11   0.00     0.06   0.37   0.17
    24   1    -0.11  -0.02  -0.43     0.03  -0.13  -0.03    -0.07  -0.05  -0.31
    25   1    -0.27  -0.20   0.08    -0.25  -0.06   0.10     0.42   0.20  -0.09
    26   1     0.01   0.19  -0.19     0.07   0.43  -0.19     0.06  -0.22   0.31
    27   1     0.28  -0.12   0.19     0.40  -0.04   0.14    -0.25   0.12  -0.19
    28   1    -0.00  -0.01   0.00     0.02   0.06  -0.01    -0.03  -0.00   0.01
    29   6    -0.03   0.02  -0.01     0.17  -0.07   0.05     0.05  -0.02  -0.01
    30   1    -0.01  -0.00  -0.02     0.01   0.03   0.03     0.02   0.01  -0.02
    31   1    -0.19   0.14  -0.05     0.26  -0.17   0.07     0.10  -0.01  -0.00
    32   1    -0.02  -0.04   0.15     0.15  -0.20  -0.03     0.04  -0.07  -0.05
    33   1     0.07  -0.02  -0.16     0.26   0.02   0.17     0.08   0.00   0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    289.0495               322.6360               354.2302
 Red. masses --      3.7526                 2.6800                 3.3376
 Frc consts  --      0.1847                 0.1644                 0.2468
 IR Inten    --      1.5181                 0.2158                 1.2678
 RamAct Fr= 1--      1.7781                 0.4025                 2.3472
  Dep-P Fr= 1--      0.1121                 0.5083                 0.5269
  Dep-U Fr= 1--      0.2016                 0.6740                 0.6902
 Alpha2 Fr= 1--      0.0302                 0.0019                 0.0102
 Beta2  Fr= 1--      0.0598                 0.0452                 0.2700
 AlphaG Fr= 1--      0.0080                -0.0039                -0.0103
 Gamma2 Fr= 1--     -0.2236                -0.1402                 0.3941
 Delta2 Fr= 1--     -0.2353                -0.0811                 0.0630
 Raman1 Fr= 1--       7.112                  1.610                  9.389
 ROA1   Fr= 1--     -28.997                -16.059                 39.851
 CID1   Fr= 1--      -4.077                 -9.975                  4.244
 Raman2 Fr= 1--       0.717                  0.543                  3.240
 ROA2   Fr= 1--      -3.484                 -2.717                  8.954
 CID2   Fr= 1--      -4.859                 -5.007                  2.764
 Raman3 Fr= 1--       1.434                  1.085                  6.480
 ROA3   Fr= 1--     -28.997                -16.059                 39.851
 CID3   Fr= 1--     -20.219                -14.798                  6.150
 RC180  Fr= 1--      -0.597                  0.348                  0.380
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02   0.06    -0.06  -0.03  -0.07    -0.03   0.07  -0.00
     2   6     0.01   0.00   0.06    -0.04  -0.05  -0.06    -0.01   0.19   0.01
     3   6    -0.05  -0.02   0.05    -0.05   0.04  -0.04    -0.04  -0.12  -0.03
     4   6    -0.07   0.00   0.05    -0.06   0.06  -0.02    -0.01  -0.12  -0.03
     5   6    -0.04  -0.03   0.08    -0.07   0.04  -0.03    -0.03  -0.15  -0.04
     6   6    -0.03  -0.03   0.08    -0.06  -0.03  -0.06    -0.00   0.08  -0.01
     7   6     0.03  -0.03  -0.08     0.02  -0.06   0.12    -0.01   0.08   0.08
     8   6     0.10  -0.03  -0.07     0.05  -0.08   0.03     0.06  -0.01  -0.05
     9   6     0.15   0.14   0.00     0.09   0.14  -0.01     0.07  -0.02  -0.05
    10   6     0.05  -0.07  -0.05     0.08  -0.00  -0.04    -0.11  -0.14   0.02
    11   6    -0.09   0.01  -0.07    -0.06  -0.00   0.07     0.02   0.02   0.03
    12   6    -0.06   0.04  -0.10    -0.02  -0.01   0.08     0.02   0.05   0.05
    13   8    -0.05   0.21  -0.09     0.07  -0.09   0.04     0.01   0.00   0.05
    14   8     0.01  -0.05   0.01     0.01   0.06  -0.00    -0.03   0.13  -0.02
    15   1    -0.06  -0.03   0.07    -0.07  -0.04  -0.07    -0.03   0.08  -0.00
    16   1    -0.04  -0.04   0.06    -0.02   0.05  -0.03    -0.07  -0.18  -0.04
    17   1    -0.02  -0.05   0.06    -0.07   0.07  -0.02    -0.03  -0.25  -0.05
    18   1    -0.05  -0.04   0.07    -0.10  -0.05  -0.07     0.02   0.11  -0.01
    19   1    -0.08  -0.01  -0.13     0.14  -0.19   0.27    -0.02  -0.10   0.23
    20   1     0.10  -0.09  -0.13    -0.14   0.08   0.25    -0.10   0.23   0.18
    21   1     0.12  -0.02  -0.08     0.01  -0.14   0.02     0.07  -0.02  -0.06
    22   1     0.32   0.28  -0.08     0.22   0.33  -0.14     0.04  -0.04  -0.04
    23   1     0.14   0.11  -0.01     0.17   0.08  -0.08     0.09  -0.01  -0.06
    24   1     0.03   0.25   0.16    -0.09   0.28   0.16     0.07  -0.03  -0.09
    25   1     0.06  -0.09  -0.06    -0.07  -0.03   0.02    -0.10  -0.18  -0.01
    26   1     0.04  -0.13  -0.04     0.09   0.18  -0.15    -0.16  -0.38  -0.01
    27   1     0.01  -0.05  -0.01     0.27  -0.09  -0.04    -0.29  -0.01   0.17
    28   1    -0.16   0.10  -0.09    -0.03  -0.07   0.08     0.05  -0.01   0.04
    29   6     0.02  -0.14   0.08     0.03  -0.01  -0.03     0.12  -0.02   0.01
    30   1     0.10   0.02   0.09     0.11   0.03  -0.09    -0.09   0.06  -0.11
    31   1    -0.06  -0.23   0.06     0.15   0.04  -0.01     0.19  -0.01   0.02
    32   1     0.02  -0.31   0.17     0.01  -0.06  -0.15     0.10  -0.15  -0.06
    33   1     0.21  -0.04   0.14     0.02  -0.01  -0.03     0.21   0.02   0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    384.3972               411.2754               419.7059
 Red. masses --      2.9772                 2.6923                 2.6777
 Frc consts  --      0.2592                 0.2683                 0.2779
 IR Inten    --      0.3760                 0.3163                 0.2616
 RamAct Fr= 1--      0.4806                 3.7276                 0.5140
  Dep-P Fr= 1--      0.1256                 0.1414                 0.1128
  Dep-U Fr= 1--      0.2231                 0.2478                 0.2028
 Alpha2 Fr= 1--      0.0079                 0.0589                 0.0087
 Beta2  Fr= 1--      0.0179                 0.1539                 0.0174
 AlphaG Fr= 1--      0.0109                 0.0575                -0.0445
 Gamma2 Fr= 1--      0.2599                 1.3692                -0.4967
 Delta2 Fr= 1--      0.0191                -0.1215                -0.1207
 Raman1 Fr= 1--       1.922                 14.911                  2.056
 ROA1   Fr= 1--      25.563                127.559                -51.548
 CID1   Fr= 1--      13.299                  8.555                -25.071
 Raman2 Fr= 1--       0.214                  1.847                  0.208
 ROA2   Fr= 1--       6.085                 33.834                -10.956
 CID2   Fr= 1--      28.375                 18.316                -52.554
 Raman3 Fr= 1--       0.429                  3.694                  0.417
 ROA3   Fr= 1--      25.563                127.559                -51.548
 CID3   Fr= 1--      59.600                 34.527               -123.631
 RC180  Fr= 1--      -0.554                 -0.504                 -0.594
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.01   0.11     0.03  -0.00  -0.01    -0.04  -0.18   0.00
     2   6    -0.03   0.00   0.14    -0.04   0.05  -0.03     0.01  -0.02   0.03
     3   6    -0.12  -0.02  -0.07     0.05   0.02   0.04    -0.01   0.18  -0.01
     4   6    -0.01   0.03  -0.13     0.05  -0.10   0.02    -0.02   0.00  -0.03
     5   6     0.06   0.02  -0.10    -0.01  -0.11  -0.00    -0.01  -0.17  -0.03
     6   6     0.05  -0.05   0.08    -0.00   0.14  -0.03     0.03   0.17   0.04
     7   6    -0.05   0.00  -0.12    -0.07  -0.05   0.03     0.02  -0.04  -0.05
     8   6    -0.04   0.01  -0.09    -0.13  -0.08  -0.05     0.04  -0.01   0.08
     9   6    -0.01   0.05   0.06    -0.11   0.08   0.10     0.03  -0.02  -0.04
    10   6     0.07  -0.03  -0.04     0.11  -0.04  -0.05    -0.03   0.06   0.01
    11   6     0.03   0.01   0.00     0.08   0.01  -0.02    -0.03  -0.01   0.01
    12   6     0.01   0.00   0.08     0.06   0.01  -0.05    -0.02   0.01   0.03
    13   8     0.04  -0.09   0.06    -0.04   0.03  -0.01     0.02  -0.01   0.02
    14   8     0.00   0.06   0.01    -0.01  -0.02  -0.01    -0.00   0.03  -0.00
    15   1    -0.20   0.02   0.18     0.09  -0.04  -0.05    -0.09  -0.38   0.01
    16   1    -0.25  -0.05  -0.13     0.06   0.09   0.05    -0.01   0.39  -0.01
    17   1     0.15   0.02  -0.16    -0.07  -0.19   0.03     0.00  -0.36  -0.06
    18   1     0.18  -0.12   0.14     0.01   0.27  -0.02     0.06   0.36   0.06
    19   1    -0.28   0.12  -0.30    -0.05  -0.14   0.11    -0.06   0.11  -0.20
    20   1     0.15  -0.17  -0.29    -0.12   0.03   0.09     0.06  -0.23  -0.15
    21   1    -0.00   0.06  -0.09    -0.15  -0.10  -0.04     0.05   0.00   0.08
    22   1     0.15   0.07   0.08     0.15   0.15   0.09    -0.08  -0.01  -0.07
    23   1    -0.13   0.07   0.14    -0.21   0.12   0.17     0.14  -0.04  -0.11
    24   1    -0.02   0.08   0.15    -0.20   0.17   0.25     0.01  -0.02  -0.09
    25   1     0.16  -0.11  -0.11     0.19  -0.13  -0.12    -0.08   0.19   0.08
    26   1     0.10   0.03   0.08     0.18   0.20   0.11    -0.05   0.04  -0.09
    27   1     0.11  -0.05  -0.04     0.30  -0.16  -0.13    -0.06   0.06  -0.07
    28   1     0.13  -0.05   0.03     0.06   0.06  -0.03    -0.00  -0.04   0.01
    29   6     0.04   0.01   0.00     0.03   0.04   0.01     0.00  -0.02  -0.01
    30   1     0.01   0.02  -0.05    -0.18  -0.03   0.06     0.05   0.02  -0.05
    31   1     0.08  -0.01   0.01    -0.02   0.03   0.00     0.02  -0.02  -0.00
    32   1     0.03   0.01  -0.04     0.04   0.07   0.06    -0.00  -0.05  -0.03
    33   1     0.03   0.03   0.04     0.02   0.03  -0.00     0.02  -0.01   0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    425.4188               452.0293               550.3265
 Red. masses --      2.3733                 3.6892                 2.5000
 Frc consts  --      0.2531                 0.4441                 0.4461
 IR Inten    --      1.1152                 6.1238                11.2799
 RamAct Fr= 1--      0.8592                 1.9247                 1.0472
  Dep-P Fr= 1--      0.6761                 0.1327                 0.2666
  Dep-U Fr= 1--      0.8068                 0.2343                 0.4210
 Alpha2 Fr= 1--      0.0011                 0.0311                 0.0118
 Beta2  Fr= 1--      0.1155                 0.0752                 0.0735
 AlphaG Fr= 1--      0.0084                -0.0187                 0.0142
 Gamma2 Fr= 1--      0.3844                 0.2200                 0.3481
 Delta2 Fr= 1--      0.0671                 0.2485                 0.2519
 Raman1 Fr= 1--       3.437                  7.699                  4.189
 ROA1   Fr= 1--      39.045                 29.076                 41.483
 CID1   Fr= 1--      11.361                  3.777                  9.903
 Raman2 Fr= 1--       1.386                  0.902                  0.882
 ROA2   Fr= 1--       8.688                  3.293                  6.340
 CID2   Fr= 1--       6.267                  3.651                  7.190
 Raman3 Fr= 1--       2.773                  1.804                  1.763
 ROA3   Fr= 1--      39.045                 29.076                 41.483
 CID3   Fr= 1--      14.082                 16.117                 23.524
 RC180  Fr= 1--       0.614                 -0.531                 -0.158
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.14   0.01     0.07   0.02  -0.03     0.05   0.03  -0.04
     2   6     0.00   0.03  -0.00     0.09  -0.09  -0.02     0.10   0.14   0.00
     3   6     0.01  -0.11  -0.01     0.06   0.04  -0.03     0.03  -0.07  -0.06
     4   6     0.00  -0.11  -0.01    -0.03  -0.06   0.00    -0.04   0.11   0.00
     5   6     0.00   0.02  -0.00     0.06   0.03   0.03     0.03  -0.07   0.01
     6   6     0.00   0.01  -0.01     0.07   0.02   0.02     0.06   0.02   0.02
     7   6    -0.02  -0.13  -0.04     0.09   0.00   0.00     0.06  -0.04   0.00
     8   6     0.01  -0.10   0.16    -0.08   0.05  -0.08    -0.04  -0.04   0.02
     9   6    -0.01   0.01  -0.02    -0.09  -0.02   0.05    -0.08  -0.00   0.02
    10   6    -0.00   0.10  -0.00     0.03  -0.02  -0.00     0.00  -0.01  -0.01
    11   6     0.01  -0.03  -0.01    -0.12  -0.11   0.01    -0.11   0.06   0.07
    12   6     0.01   0.03   0.02    -0.08   0.03   0.09    -0.15  -0.01   0.00
    13   8    -0.00   0.04   0.02     0.04   0.08   0.06     0.01  -0.02  -0.06
    14   8    -0.02   0.08  -0.03    -0.04   0.19  -0.07    -0.00  -0.06   0.03
    15   1     0.05   0.25   0.01     0.05   0.10  -0.01    -0.00  -0.14  -0.03
    16   1     0.00  -0.18  -0.01     0.12   0.12   0.00     0.06  -0.29  -0.05
    17   1     0.01   0.09   0.00     0.10   0.11   0.01     0.07  -0.29  -0.05
    18   1     0.00  -0.01  -0.01     0.04   0.13   0.01     0.01  -0.16  -0.00
    19   1    -0.15   0.08  -0.26     0.19  -0.06   0.09    -0.01  -0.00  -0.05
    20   1    -0.02  -0.45  -0.18     0.13   0.17   0.06     0.06  -0.09  -0.03
    21   1    -0.03  -0.12   0.17    -0.10   0.04  -0.07    -0.09  -0.07   0.03
    22   1    -0.09   0.09  -0.11    -0.03  -0.08   0.12    -0.06  -0.00   0.03
    23   1     0.18  -0.00  -0.14    -0.27  -0.02   0.15    -0.10  -0.01   0.03
    24   1    -0.15   0.08  -0.05     0.03  -0.07   0.09    -0.08   0.00   0.04
    25   1    -0.06   0.35   0.12     0.09  -0.17  -0.09     0.03   0.01  -0.01
    26   1    -0.00   0.20  -0.11     0.06   0.05   0.12     0.03   0.07   0.03
    27   1     0.05   0.01  -0.25     0.10  -0.04   0.06     0.06  -0.05  -0.08
    28   1     0.01  -0.04  -0.00    -0.10  -0.23   0.02    -0.07   0.07   0.08
    29   6     0.01  -0.05  -0.00    -0.09  -0.20  -0.04     0.01   0.05   0.01
    30   1    -0.09   0.02  -0.09     0.13   0.08  -0.34     0.69   0.12  -0.04
    31   1     0.02  -0.06   0.00    -0.05  -0.23  -0.03     0.12   0.15   0.02
    32   1     0.01  -0.09  -0.00    -0.10  -0.27  -0.06    -0.01  -0.04  -0.10
    33   1     0.05  -0.02   0.01    -0.04  -0.16   0.01     0.04   0.04  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --    566.9020               619.7191               642.5741
 Red. masses --      2.7556                 1.7097                 3.0593
 Frc consts  --      0.5218                 0.3869                 0.7443
 IR Inten    --     35.9059                65.7143                27.2522
 RamAct Fr= 1--      0.1716                 1.1200                 3.1807
  Dep-P Fr= 1--      0.4386                 0.6913                 0.6130
  Dep-U Fr= 1--      0.6098                 0.8175                 0.7601
 Alpha2 Fr= 1--      0.0011                 0.0012                 0.0080
 Beta2  Fr= 1--      0.0174                 0.1526                 0.4029
 AlphaG Fr= 1--     -0.0032                 0.0078                -0.0150
 Gamma2 Fr= 1--     -0.0109                -1.4993                -0.3592
 Delta2 Fr= 1--     -0.1251                -0.3904                -0.1953
 Raman1 Fr= 1--       0.686                  4.480                 12.723
 ROA1   Fr= 1--      -5.051               -156.420                -40.728
 CID1   Fr= 1--      -7.360                -34.914                 -3.201
 Raman2 Fr= 1--       0.209                  1.831                  4.835
 ROA2   Fr= 1--       0.739                -32.859                 -7.058
 CID2   Fr= 1--       3.531                -17.944                 -1.460
 Raman3 Fr= 1--       0.418                  3.662                  9.670
 ROA3   Fr= 1--      -5.051               -156.420                -40.728
 CID3   Fr= 1--     -12.070                -42.709                 -4.212
 RC180  Fr= 1--       0.220                  0.635                  0.520
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.08   0.02     0.02  -0.02   0.06    -0.09   0.02  -0.05
     2   6    -0.04   0.17   0.00    -0.07  -0.05   0.01    -0.03  -0.03  -0.06
     3   6     0.05   0.01   0.06     0.03   0.01   0.03    -0.08  -0.01   0.13
     4   6     0.10   0.19   0.03     0.06  -0.06  -0.02     0.02  -0.03   0.06
     5   6     0.03   0.01  -0.01    -0.01   0.02  -0.05     0.10  -0.02   0.08
     6   6     0.00  -0.06  -0.05    -0.02  -0.01  -0.02     0.08   0.01  -0.10
     7   6    -0.09   0.03   0.02    -0.07   0.03   0.01    -0.03   0.00  -0.01
     8   6     0.00  -0.04   0.02     0.01   0.00  -0.00     0.00   0.01  -0.00
     9   6     0.00   0.01  -0.00     0.04   0.00  -0.01     0.01   0.00  -0.00
    10   6    -0.00  -0.02  -0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    11   6     0.06  -0.08  -0.07     0.07  -0.04   0.04     0.01   0.06  -0.17
    12   6     0.02  -0.02   0.04    -0.05  -0.05   0.02     0.02   0.10  -0.02
    13   8     0.02   0.03   0.05    -0.02   0.08   0.02    -0.02  -0.15  -0.03
    14   8    -0.01   0.05  -0.04    -0.07  -0.03  -0.04    -0.04   0.07   0.14
    15   1     0.07  -0.42  -0.05     0.06   0.09   0.04     0.00   0.09  -0.10
    16   1    -0.00  -0.27   0.03    -0.02   0.13   0.01    -0.03   0.06   0.15
    17   1    -0.06  -0.28   0.01    -0.03   0.13  -0.02     0.03   0.03   0.14
    18   1     0.01  -0.41  -0.06     0.06   0.09   0.01     0.04   0.09  -0.11
    19   1    -0.18   0.01   0.00    -0.06   0.00   0.03    -0.01   0.01  -0.02
    20   1    -0.15  -0.03   0.01    -0.08   0.04   0.01    -0.03  -0.01  -0.02
    21   1     0.01  -0.04   0.02     0.05   0.03  -0.01     0.02   0.02  -0.01
    22   1     0.03   0.05  -0.03     0.04   0.02  -0.02     0.01   0.00  -0.01
    23   1     0.07   0.03  -0.03     0.07   0.01  -0.02     0.02   0.00  -0.01
    24   1    -0.08   0.06   0.00     0.00   0.02  -0.01     0.01   0.00  -0.01
    25   1    -0.01   0.03   0.01    -0.01   0.00   0.01    -0.00   0.00   0.00
    26   1    -0.00  -0.01  -0.03    -0.01  -0.03  -0.02    -0.00  -0.01  -0.00
    27   1    -0.01  -0.03  -0.05    -0.02   0.02   0.02    -0.00   0.01   0.01
    28   1     0.03  -0.17  -0.07     0.12  -0.03   0.05    -0.05   0.01  -0.17
    29   6    -0.08  -0.10  -0.04     0.03   0.03   0.01    -0.02  -0.03  -0.03
    30   1    -0.08  -0.04  -0.16     0.80   0.04  -0.39     0.67   0.28   0.11
    31   1    -0.23  -0.23  -0.06     0.03   0.11   0.01    -0.16  -0.28  -0.04
    32   1    -0.05   0.08   0.09     0.03   0.13  -0.01    -0.00  -0.06   0.13
    33   1    -0.19  -0.11   0.02    -0.07  -0.04  -0.06     0.08   0.09   0.15
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.5971               720.8298               753.8120
 Red. masses --      5.1059                 3.1133                 3.9107
 Frc consts  --      1.3327                 0.9531                 1.3093
 IR Inten    --      7.8626                34.5756                 6.8429
 RamAct Fr= 1--      4.6559                 2.4209                 5.0015
  Dep-P Fr= 1--      0.5558                 0.0504                 0.0750
  Dep-U Fr= 1--      0.7145                 0.0960                 0.1396
 Alpha2 Fr= 1--      0.0172                 0.0478                 0.0930
 Beta2  Fr= 1--      0.5544                 0.0387                 0.1164
 AlphaG Fr= 1--     -0.0480                 0.0536                -0.0390
 Gamma2 Fr= 1--      0.3542                 0.7954                 0.5131
 Delta2 Fr= 1--      0.0018                 0.2846                -0.0652
 Raman1 Fr= 1--      18.623                  9.684                 20.006
 ROA1   Fr= 1--      34.064                 85.462                 47.170
 CID1   Fr= 1--       1.829                  8.825                  2.358
 Raman2 Fr= 1--       6.653                  0.465                  1.396
 ROA2   Fr= 1--       8.488                 16.812                 12.835
 CID2   Fr= 1--       1.276                 36.187                  9.192
 Raman3 Fr= 1--      13.306                  0.929                  2.793
 ROA3   Fr= 1--      34.064                 85.462                 47.170
 CID3   Fr= 1--       2.560                 91.975                 16.891
 RC180  Fr= 1--       0.429                 -0.808                 -0.721
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.23  -0.03   0.15    -0.07   0.07  -0.05    -0.02  -0.13  -0.08
     2   6    -0.01  -0.02   0.08     0.07  -0.03  -0.01     0.08   0.23   0.01
     3   6     0.21  -0.01  -0.13    -0.08  -0.01  -0.04     0.01   0.14  -0.06
     4   6     0.01  -0.01  -0.07    -0.04   0.08   0.01    -0.08  -0.23  -0.01
     5   6    -0.21   0.03  -0.12    -0.11  -0.02   0.05     0.01   0.14   0.06
     6   6    -0.20   0.01   0.16    -0.10   0.06   0.09    -0.01  -0.14   0.04
     7   6    -0.02   0.01   0.02     0.17  -0.09  -0.01     0.04   0.07   0.02
     8   6     0.00  -0.01   0.01    -0.01   0.03  -0.02     0.01  -0.04   0.04
     9   6     0.01  -0.00  -0.00    -0.03   0.00   0.00    -0.07   0.00   0.02
    10   6    -0.00  -0.00   0.00    -0.00   0.02   0.02     0.01  -0.05  -0.04
    11   6     0.00   0.05  -0.13     0.12  -0.02  -0.10    -0.01  -0.00   0.02
    12   6     0.02   0.11  -0.04     0.18  -0.04   0.00     0.16   0.02  -0.05
    13   8    -0.02  -0.13  -0.06    -0.03   0.02   0.10    -0.05  -0.00   0.02
    14   8    -0.01   0.08   0.13    -0.08  -0.03  -0.04    -0.05  -0.01   0.01
    15   1     0.20   0.02   0.18    -0.18  -0.08   0.01    -0.10  -0.33  -0.05
    16   1     0.13   0.04  -0.17    -0.10  -0.26  -0.05     0.10   0.37  -0.02
    17   1    -0.16   0.06  -0.15    -0.13  -0.25   0.03     0.09   0.34   0.03
    18   1    -0.11   0.03   0.20    -0.23  -0.07   0.02    -0.09  -0.35   0.00
    19   1     0.03  -0.06   0.10     0.23  -0.07  -0.00    -0.11   0.13  -0.08
    20   1    -0.06   0.10   0.08     0.19  -0.02   0.01     0.04  -0.07  -0.04
    21   1     0.01  -0.01   0.01    -0.08  -0.02  -0.01    -0.01  -0.07   0.04
    22   1     0.01   0.01  -0.01    -0.06  -0.06   0.04    -0.08   0.03  -0.00
    23   1     0.04   0.01  -0.01    -0.13  -0.04   0.04    -0.01   0.01  -0.01
    24   1    -0.02   0.01  -0.01     0.11  -0.07   0.01    -0.13   0.03   0.01
    25   1    -0.00   0.02   0.01     0.01  -0.02  -0.01    -0.00   0.01  -0.01
    26   1    -0.00  -0.00  -0.00     0.00   0.04   0.05     0.01  -0.04  -0.07
    27   1    -0.01  -0.00  -0.01     0.02   0.02   0.03     0.01  -0.07  -0.11
    28   1    -0.04  -0.00  -0.14     0.05  -0.03  -0.11    -0.04   0.11   0.01
    29   6    -0.04  -0.06  -0.05     0.03   0.02  -0.01     0.01   0.01   0.01
    30   1     0.31   0.25   0.26     0.35  -0.08  -0.36     0.23   0.02  -0.08
    31   1    -0.14  -0.28  -0.05    -0.15  -0.15  -0.03     0.10   0.07   0.02
    32   1    -0.02  -0.10   0.08     0.07   0.19   0.17    -0.01  -0.10  -0.05
    33   1     0.05   0.05   0.11    -0.03   0.04   0.09     0.09   0.03  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    806.5679               824.2282               837.4028
 Red. masses --      2.2204                 3.8277                 2.7921
 Frc consts  --      0.8511                 1.5321                 1.1536
 IR Inten    --      7.8586                10.5217                 0.9445
 RamAct Fr= 1--     28.5679                 0.8365                 6.5264
  Dep-P Fr= 1--      0.0548                 0.2299                 0.0980
  Dep-U Fr= 1--      0.1038                 0.3738                 0.1785
 Alpha2 Fr= 1--      0.5579                 0.0105                 0.1148
 Beta2  Fr= 1--      0.4944                 0.0521                 0.1942
 AlphaG Fr= 1--     -0.1614                 0.0054                 0.0554
 Gamma2 Fr= 1--     -1.1368                 0.2486                -1.3837
 Delta2 Fr= 1--     -0.1928                 0.0612                -1.8202
 Raman1 Fr= 1--     114.272                  3.346                 26.106
 ROA1   Fr= 1--    -115.303                 25.828               -191.082
 CID1   Fr= 1--      -1.009                  7.719                 -7.320
 Raman2 Fr= 1--       5.932                  0.625                  2.331
 ROA2   Fr= 1--     -25.741                  5.477                -18.647
 CID2   Fr= 1--      -4.339                  8.758                 -8.001
 Raman3 Fr= 1--      11.864                  1.251                  4.661
 ROA3   Fr= 1--    -115.303                 25.828               -191.082
 CID3   Fr= 1--      -9.718                 20.649                -40.995
 RC180  Fr= 1--      -0.792                 -0.252                 -0.643
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03  -0.04     0.04   0.03  -0.03    -0.04   0.03   0.05
     2   6     0.02  -0.02  -0.01    -0.03  -0.12   0.00    -0.01  -0.06   0.00
     3   6     0.00  -0.06  -0.04     0.05  -0.02  -0.09    -0.04   0.02   0.07
     4   6    -0.01   0.09   0.01    -0.04   0.13   0.01     0.05   0.03   0.00
     5   6    -0.00  -0.06   0.05     0.08  -0.05   0.02    -0.05   0.01  -0.08
     6   6    -0.01  -0.03   0.05     0.08   0.02   0.03    -0.02   0.02  -0.07
     7   6     0.00   0.15   0.01    -0.16   0.07  -0.01     0.12   0.09   0.03
     8   6     0.03  -0.04   0.09    -0.01  -0.01   0.01     0.05   0.01   0.08
     9   6    -0.08  -0.00   0.04     0.03  -0.02   0.00    -0.10   0.02   0.04
    10   6     0.03  -0.10  -0.08     0.00  -0.01  -0.00     0.04  -0.10  -0.10
    11   6     0.01   0.03  -0.09    -0.13   0.04   0.10     0.06  -0.08   0.13
    12   6    -0.05  -0.04   0.06     0.31   0.02  -0.07     0.04   0.05  -0.08
    13   8     0.03   0.01   0.05    -0.07   0.00   0.07    -0.04  -0.00  -0.08
    14   8     0.01  -0.03  -0.04    -0.07  -0.04  -0.00    -0.01   0.06   0.05
    15   1     0.02   0.43   0.00     0.04   0.15  -0.02    -0.04  -0.03   0.04
    16   1     0.08   0.28   0.00     0.10  -0.21  -0.07    -0.15  -0.21   0.01
    17   1     0.04   0.18   0.05     0.18  -0.17  -0.07    -0.13  -0.10  -0.04
    18   1    -0.03   0.37   0.05     0.14   0.17   0.06     0.01   0.03  -0.06
    19   1    -0.01   0.25  -0.08    -0.12   0.03   0.03     0.16   0.27  -0.12
    20   1     0.02   0.01  -0.06    -0.17   0.10   0.01     0.21  -0.06  -0.08
    21   1     0.10  -0.00   0.07     0.10   0.07  -0.01     0.05  -0.01   0.06
    22   1    -0.15   0.07  -0.04     0.07   0.05  -0.05    -0.24   0.03   0.00
    23   1     0.12   0.03  -0.06     0.16   0.04  -0.05     0.01  -0.01  -0.03
    24   1    -0.26   0.08  -0.01    -0.12   0.06  -0.01    -0.13   0.01  -0.02
    25   1    -0.02   0.02  -0.01    -0.01   0.02   0.01    -0.03  -0.03  -0.04
    26   1     0.01  -0.13  -0.20    -0.00  -0.02  -0.02     0.01  -0.19  -0.22
    27   1    -0.01  -0.11  -0.18    -0.01  -0.01  -0.02    -0.02  -0.08  -0.11
    28   1    -0.02  -0.07  -0.09    -0.20   0.30   0.06     0.11   0.04   0.13
    29   6     0.02   0.03  -0.02    -0.08  -0.06  -0.01    -0.02  -0.09   0.01
    30   1    -0.06  -0.11  -0.13     0.16  -0.05  -0.14     0.07   0.17   0.20
    31   1    -0.11  -0.16  -0.03     0.16   0.12   0.02     0.06   0.22   0.01
    32   1     0.04   0.09   0.13    -0.13  -0.34  -0.22    -0.03   0.06  -0.13
    33   1     0.03   0.11   0.13     0.09  -0.04  -0.09    -0.22  -0.30  -0.25
                     31                     32                     33
                      A                      A                      A
 Frequencies --    853.4038               859.0010               871.7889
 Red. masses --      1.2812                 3.2901                 1.8123
 Frc consts  --      0.5498                 1.4304                 0.8115
 IR Inten    --      0.3818                 4.0551                17.8802
 RamAct Fr= 1--      2.0167                13.4555                 6.1161
  Dep-P Fr= 1--      0.2728                 0.1881                 0.0784
  Dep-U Fr= 1--      0.4286                 0.3167                 0.1454
 Alpha2 Fr= 1--      0.0224                 0.1885                 0.1129
 Beta2  Fr= 1--      0.1441                 0.7102                 0.1482
 AlphaG Fr= 1--     -0.0330                -0.0980                -0.0812
 Gamma2 Fr= 1--      0.1924                 1.5542                 0.1260
 Delta2 Fr= 1--     -0.0195                 0.4559                 0.6109
 Raman1 Fr= 1--       8.067                 53.822                 24.464
 ROA1   Fr= 1--      17.842                163.789                 31.649
 CID1   Fr= 1--       2.212                  3.043                  1.294
 Raman2 Fr= 1--       1.729                  8.523                  1.779
 ROA2   Fr= 1--       4.772                 33.653                 -1.862
 CID2   Fr= 1--       2.760                  3.949                 -1.047
 Raman3 Fr= 1--       3.458                 17.045                  3.557
 ROA3   Fr= 1--      17.842                163.789                 31.649
 CID3   Fr= 1--       5.160                  9.609                  8.897
 RC180  Fr= 1--      -0.143                 -0.367                 -0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.08   0.00    -0.06   0.01  -0.15    -0.02  -0.05  -0.01
     2   6    -0.00   0.01   0.00     0.02  -0.04  -0.01     0.02   0.12   0.01
     3   6    -0.01  -0.09   0.00     0.01   0.00  -0.16    -0.01  -0.05   0.00
     4   6     0.01   0.02   0.00    -0.03   0.01   0.00     0.02   0.10   0.01
     5   6    -0.00   0.06  -0.01     0.05   0.00   0.16    -0.02  -0.08  -0.02
     6   6     0.01   0.07  -0.01    -0.01   0.00   0.17    -0.02  -0.09  -0.02
     7   6     0.02  -0.01   0.02    -0.12   0.03  -0.02     0.04  -0.06   0.03
     8   6    -0.00   0.00  -0.01    -0.02  -0.02  -0.01    -0.02  -0.01  -0.04
     9   6     0.00   0.00  -0.01     0.04  -0.02  -0.01     0.03   0.00  -0.03
    10   6    -0.00   0.01   0.00    -0.01   0.02   0.03    -0.02   0.05   0.04
    11   6    -0.00   0.00   0.02     0.16  -0.12   0.05     0.03  -0.01   0.05
    12   6     0.02   0.00  -0.01    -0.07   0.03  -0.05     0.04   0.01  -0.03
    13   8    -0.01   0.00  -0.00    -0.01   0.00  -0.09    -0.02   0.00  -0.01
    14   8    -0.00   0.00   0.00     0.01   0.07   0.05    -0.01   0.01   0.02
    15   1     0.05   0.51   0.04    -0.16   0.11  -0.07     0.00   0.25   0.01
    16   1     0.04   0.55   0.04     0.11  -0.02  -0.11     0.02   0.29   0.02
    17   1    -0.06  -0.41  -0.04     0.16  -0.17   0.08     0.01   0.49   0.03
    18   1    -0.04  -0.45  -0.04    -0.13  -0.04   0.12     0.04   0.53   0.01
    19   1    -0.02   0.02  -0.02    -0.11  -0.06   0.06    -0.12  -0.04  -0.04
    20   1     0.03  -0.07  -0.01    -0.18   0.11   0.04     0.06  -0.17  -0.02
    21   1    -0.04  -0.03  -0.00     0.06   0.05  -0.02    -0.14  -0.10  -0.02
    22   1     0.02  -0.02   0.01     0.11   0.03  -0.04     0.11  -0.06   0.04
    23   1    -0.04  -0.01   0.02     0.12   0.03  -0.03    -0.15  -0.01   0.06
    24   1     0.05  -0.01   0.01    -0.08   0.05  -0.00     0.15  -0.04   0.04
    25   1     0.00  -0.02  -0.01     0.01   0.04   0.02     0.02  -0.03  -0.01
    26   1    -0.00   0.00   0.01    -0.00   0.06   0.05    -0.00   0.08   0.12
    27   1    -0.00   0.02   0.03     0.00   0.00  -0.01     0.02   0.04   0.09
    28   1    -0.01   0.01   0.02     0.23  -0.16   0.07     0.03   0.05   0.04
    29   6    -0.01  -0.01  -0.00     0.05  -0.05   0.02    -0.02  -0.06  -0.01
    30   1     0.01   0.01   0.01     0.03   0.17   0.20     0.03   0.04   0.04
    31   1     0.01   0.02  -0.00    -0.08   0.13  -0.02    -0.01   0.07  -0.01
    32   1    -0.01  -0.01  -0.03     0.09   0.36   0.07    -0.02   0.04  -0.05
    33   1    -0.02  -0.03  -0.03    -0.30  -0.28  -0.18    -0.13  -0.16  -0.12
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.7766               936.2515               954.2213
 Red. masses --      1.5184                 1.1970                 1.6965
 Frc consts  --      0.7211                 0.6182                 0.9101
 IR Inten    --      1.9933                 1.8886                 0.3227
 RamAct Fr= 1--      2.0136                 1.1856                 5.1174
  Dep-P Fr= 1--      0.6775                 0.4216                 0.7054
  Dep-U Fr= 1--      0.8077                 0.5931                 0.8272
 Alpha2 Fr= 1--      0.0026                 0.0081                 0.0040
 Beta2  Fr= 1--      0.2711                 0.1172                 0.7056
 AlphaG Fr= 1--      0.0070                 0.0296                -0.0021
 Gamma2 Fr= 1--     -0.6730                -0.2129                -1.8609
 Delta2 Fr= 1--      0.0186                -0.5746                -0.0265
 Raman1 Fr= 1--       8.054                  4.743                 20.470
 ROA1   Fr= 1--     -64.014                -38.830               -179.493
 CID1   Fr= 1--      -7.948                 -8.188                 -8.769
 Raman2 Fr= 1--       3.253                  1.406                  8.467
 ROA2   Fr= 1--     -16.302                 -0.514                -44.450
 CID2   Fr= 1--      -5.011                 -0.365                 -5.250
 Raman3 Fr= 1--       6.506                  2.813                 16.933
 ROA3   Fr= 1--     -64.014                -38.830               -179.493
 CID3   Fr= 1--      -9.839                -13.804                -10.600
 RC180  Fr= 1--       0.615                  0.186                  0.654
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.04    -0.00   0.00   0.01     0.01   0.08   0.00
     2   6    -0.01  -0.05   0.01     0.01   0.01  -0.00    -0.02   0.00  -0.00
     3   6     0.04   0.02  -0.04    -0.01  -0.01   0.01     0.00  -0.09  -0.03
     4   6    -0.01  -0.02   0.01     0.00   0.00  -0.00     0.00   0.02  -0.00
     5   6    -0.00   0.00   0.02    -0.00  -0.00  -0.01     0.02  -0.01   0.02
     6   6    -0.00   0.01  -0.01    -0.00  -0.00  -0.00     0.00  -0.01   0.02
     7   6    -0.04   0.01   0.16     0.02   0.01  -0.01    -0.06  -0.10  -0.01
     8   6    -0.01   0.05  -0.00    -0.04  -0.00   0.01     0.08   0.08   0.01
     9   6     0.03   0.01  -0.02     0.05  -0.00   0.07    -0.06   0.07   0.04
    10   6     0.01   0.02  -0.06    -0.08   0.02  -0.03     0.05  -0.01  -0.05
    11   6    -0.00  -0.00  -0.01     0.00   0.00   0.00     0.01   0.01   0.00
    12   6    -0.01  -0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1     0.01  -0.05  -0.06    -0.00  -0.02   0.01    -0.05  -0.49  -0.04
    16   1     0.08  -0.15  -0.02    -0.01   0.05   0.01     0.07   0.52   0.01
    17   1    -0.02  -0.04   0.03    -0.01   0.01  -0.00     0.05   0.07   0.01
    18   1    -0.03  -0.02  -0.03    -0.00  -0.00  -0.00     0.01  -0.01   0.03
    19   1    -0.24   0.39  -0.24     0.05   0.02  -0.01    -0.02  -0.17   0.07
    20   1     0.07  -0.49  -0.11     0.02   0.03  -0.01    -0.17  -0.04   0.07
    21   1    -0.15  -0.25  -0.06     0.22  -0.18  -0.20     0.14   0.09  -0.02
    22   1     0.05  -0.03   0.02    -0.34   0.08  -0.08    -0.40  -0.01   0.04
    23   1    -0.09  -0.02   0.04     0.41  -0.10  -0.19    -0.03  -0.09  -0.04
    24   1     0.15  -0.03   0.03    -0.05  -0.02  -0.17     0.14  -0.08  -0.10
    25   1     0.00  -0.31  -0.18     0.21  -0.29  -0.27    -0.04  -0.09  -0.04
    26   1    -0.00  -0.16   0.04     0.04   0.25   0.42     0.00  -0.20  -0.15
    27   1    -0.03   0.12   0.30     0.18  -0.09   0.04    -0.06   0.09   0.12
    28   1    -0.02  -0.03  -0.02     0.00   0.00   0.00     0.02   0.02   0.01
    29   6     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.02  -0.00
    30   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1    -0.02  -0.04  -0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    32   1     0.01   0.01   0.03    -0.00  -0.00  -0.00    -0.01  -0.01  -0.02
    33   1     0.02   0.04   0.04    -0.00  -0.01  -0.01    -0.02  -0.03  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --    962.6486               972.1755               977.1112
 Red. masses --      1.5438                 1.4866                 1.3846
 Frc consts  --      0.8429                 0.8278                 0.7789
 IR Inten    --      0.1796                 0.0536                 0.1500
 RamAct Fr= 1--      1.6658                 2.2271                 0.4086
  Dep-P Fr= 1--      0.5989                 0.6676                 0.7417
  Dep-U Fr= 1--      0.7491                 0.8007                 0.8517
 Alpha2 Fr= 1--      0.0047                 0.0033                 0.0001
 Beta2  Fr= 1--      0.2080                 0.2972                 0.0580
 AlphaG Fr= 1--      0.0533                 0.0021                -0.0002
 Gamma2 Fr= 1--      0.1914                -0.0767                -0.8774
 Delta2 Fr= 1--      0.0048                -0.1721                 0.4588
 Raman1 Fr= 1--       6.663                  8.908                  1.635
 ROA1   Fr= 1--      18.528                -12.871                -69.550
 CID1   Fr= 1--       2.781                 -1.445                -42.551
 Raman2 Fr= 1--       2.496                  3.566                  0.696
 ROA2   Fr= 1--       4.555                 -0.464                -24.729
 CID2   Fr= 1--       1.825                 -0.130                -35.528
 Raman3 Fr= 1--       4.992                  7.133                  1.392
 ROA3   Fr= 1--      18.528                -12.871                -69.550
 CID3   Fr= 1--       3.712                 -1.805                -49.961
 RC180  Fr= 1--       0.498                  0.601                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.11  -0.01     0.00   0.01  -0.00    -0.00   0.01  -0.01
     2   6    -0.01   0.04  -0.00    -0.01  -0.01   0.00    -0.00  -0.03  -0.00
     3   6     0.01   0.09  -0.00     0.01  -0.01  -0.01    -0.00  -0.01  -0.00
     4   6    -0.00  -0.01  -0.00    -0.00  -0.00   0.00     0.01   0.02   0.00
     5   6     0.01  -0.03   0.01     0.01   0.02   0.01    -0.01  -0.12  -0.00
     6   6     0.00   0.02   0.01    -0.00  -0.02  -0.00     0.01   0.11   0.01
     7   6    -0.03  -0.09  -0.02    -0.01   0.02   0.02    -0.00   0.03   0.01
     8   6     0.06   0.06   0.01    -0.07   0.04   0.06    -0.03  -0.00   0.01
     9   6    -0.04   0.07   0.04     0.10   0.08  -0.03     0.03  -0.01  -0.01
    10   6     0.03  -0.01  -0.03    -0.04  -0.11  -0.03    -0.01  -0.02   0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.02   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1     0.06   0.60   0.04     0.00  -0.05  -0.01    -0.02  -0.08  -0.01
    16   1    -0.04  -0.49  -0.04     0.02   0.03  -0.00     0.01   0.06   0.00
    17   1     0.05   0.16   0.01    -0.00  -0.13  -0.00     0.06   0.70   0.06
    18   1     0.00  -0.11   0.01     0.01   0.10   0.01    -0.07  -0.64  -0.04
    19   1    -0.04  -0.19   0.08    -0.03   0.04  -0.01     0.03   0.07  -0.02
    20   1    -0.14  -0.03   0.06    -0.02  -0.01   0.01     0.03   0.02  -0.01
    21   1     0.10   0.07  -0.01    -0.24   0.14   0.18    -0.06   0.02   0.04
    22   1    -0.37  -0.02   0.04    -0.14  -0.13   0.10     0.07  -0.01   0.00
    23   1    -0.04  -0.10  -0.04    -0.15  -0.13   0.02     0.00   0.01   0.01
    24   1     0.18  -0.09  -0.10     0.55  -0.17  -0.07     0.03  -0.00   0.01
    25   1    -0.00  -0.05  -0.03     0.08   0.16   0.02     0.01   0.04   0.01
    26   1     0.00  -0.09  -0.07     0.02   0.21   0.01     0.00   0.04   0.00
    27   1    -0.02   0.03   0.05     0.13  -0.30  -0.45     0.02  -0.06  -0.09
    28   1     0.01   0.01  -0.00    -0.01  -0.01  -0.00     0.03   0.05   0.00
    29   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.02  -0.01
    30   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.01   0.00   0.00    -0.00  -0.01   0.00     0.01   0.01  -0.00
    32   1    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.01  -0.01  -0.02
    33   1     0.01   0.01   0.00     0.01   0.01   0.01    -0.02  -0.04  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.2452              1046.1702              1084.2273
 Red. masses --      1.9162                 2.8214                 2.1155
 Frc consts  --      1.1614                 1.8194                 1.4652
 IR Inten    --      2.1954                 4.2930                57.4409
 RamAct Fr= 1--      9.4833                 0.0715                 2.8806
  Dep-P Fr= 1--      0.2301                 0.7170                 0.6221
  Dep-U Fr= 1--      0.3741                 0.8352                 0.7670
 Alpha2 Fr= 1--      0.1188                 0.0000                 0.0067
 Beta2  Fr= 1--      0.5913                 0.0100                 0.3682
 AlphaG Fr= 1--      0.0165                 0.0005                 0.0106
 Gamma2 Fr= 1--      0.2792                -0.0326                -1.0271
 Delta2 Fr= 1--     -1.1837                 0.1523                 1.2277
 Raman1 Fr= 1--      37.933                  0.286                 11.522
 ROA1   Fr= 1--     -11.075                  1.744                -59.317
 CID1   Fr= 1--      -0.292                  6.099                 -5.148
 Raman2 Fr= 1--       7.096                  0.119                  4.419
 ROA2   Fr= 1--      16.170                 -2.000                -34.472
 CID2   Fr= 1--       2.279                -16.748                 -7.801
 Raman3 Fr= 1--      14.192                  0.239                  8.838
 ROA3   Fr= 1--     -11.075                  1.744                -59.317
 CID3   Fr= 1--      -0.780                  7.302                 -6.712
 RC180  Fr= 1--      -0.252                  0.670                  0.534
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00  -0.04    -0.05   0.02  -0.20    -0.05   0.01  -0.04
     2   6    -0.00   0.00  -0.02     0.03  -0.01  -0.00    -0.00  -0.01   0.04
     3   6     0.00   0.01   0.02    -0.01  -0.01   0.19     0.02   0.01  -0.05
     4   6     0.07  -0.03  -0.04     0.04  -0.00   0.01     0.05  -0.02   0.03
     5   6     0.00   0.02   0.04    -0.04   0.02  -0.20    -0.02   0.01  -0.00
     6   6    -0.04  -0.01   0.06    -0.01  -0.01   0.20     0.01   0.00  -0.02
     7   6     0.01   0.01   0.00    -0.01   0.00   0.00     0.01  -0.01   0.02
     8   6    -0.00  -0.00   0.01     0.00   0.00   0.00     0.01   0.01  -0.04
     9   6     0.00  -0.00  -0.01     0.00   0.00  -0.00    -0.01  -0.00   0.02
    10   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.01   0.02
    11   6     0.10   0.14  -0.06    -0.01  -0.01   0.02     0.09   0.08   0.16
    12   6    -0.07  -0.01   0.04     0.00  -0.00  -0.01    -0.01   0.09   0.02
    13   8     0.03  -0.00   0.03    -0.00   0.00  -0.01    -0.00   0.01  -0.00
    14   8     0.01  -0.03  -0.02    -0.00   0.00   0.00    -0.01  -0.07  -0.07
    15   1    -0.00   0.02  -0.05     0.21   0.00  -0.38    -0.19   0.01   0.05
    16   1    -0.03  -0.06   0.01     0.29  -0.05   0.33     0.09  -0.03  -0.02
    17   1    -0.04  -0.14   0.05     0.21   0.00  -0.38    -0.17  -0.01   0.10
    18   1    -0.12   0.06   0.04     0.32  -0.06   0.35     0.06  -0.00   0.00
    19   1     0.04   0.03  -0.01    -0.04  -0.01   0.00    -0.18  -0.06   0.01
    20   1    -0.03  -0.02   0.01    -0.06  -0.02   0.01     0.20   0.03  -0.05
    21   1    -0.03  -0.04   0.00    -0.00   0.00   0.00     0.10   0.11  -0.04
    22   1     0.03  -0.01   0.00    -0.01  -0.00   0.00    -0.06   0.02  -0.02
    23   1    -0.02   0.00   0.01    -0.01  -0.00   0.00     0.06  -0.00  -0.02
    24   1     0.01   0.00   0.01     0.01  -0.00  -0.00    -0.05   0.01  -0.03
    25   1     0.00  -0.02  -0.01    -0.00  -0.01  -0.00     0.00   0.09   0.06
    26   1     0.00  -0.00   0.01     0.00  -0.00  -0.00     0.00   0.05  -0.01
    27   1     0.00   0.00   0.02    -0.00   0.00   0.00     0.00  -0.04  -0.08
    28   1     0.45   0.46  -0.00    -0.10  -0.07   0.01     0.06  -0.29   0.18
    29   6    -0.12  -0.09   0.00     0.00   0.02  -0.01    -0.06  -0.02  -0.13
    30   1    -0.01  -0.05  -0.05     0.00   0.01   0.01     0.07   0.14   0.25
    31   1     0.22   0.18   0.04    -0.02  -0.07  -0.01    -0.16  -0.48  -0.11
    32   1    -0.18  -0.38  -0.35     0.00  -0.02   0.04    -0.04  -0.23   0.13
    33   1     0.07  -0.12  -0.20     0.03   0.06   0.06     0.12   0.22   0.24
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1097.3588              1106.2202              1138.5163
 Red. masses --      1.5764                 1.8099                 2.1670
 Frc consts  --      1.1185                 1.3049                 1.6550
 IR Inten    --      3.5792                45.1030                 2.2663
 RamAct Fr= 1--      2.5856                 3.7587                12.9034
  Dep-P Fr= 1--      0.2888                 0.3295                 0.4449
  Dep-U Fr= 1--      0.4482                 0.4957                 0.6158
 Alpha2 Fr= 1--      0.0274                 0.0352                 0.0807
 Beta2  Fr= 1--      0.1931                 0.3105                 1.3244
 AlphaG Fr= 1--     -0.0288                 0.0267                -0.1298
 Gamma2 Fr= 1--     -0.0790                -1.6765                 1.0376
 Delta2 Fr= 1--      0.7534                -0.5464                 0.0878
 Raman1 Fr= 1--      10.342                 15.035                 51.614
 ROA1   Fr= 1--      16.527               -178.428                102.419
 CID1   Fr= 1--       1.598                -11.868                  1.984
 Raman2 Fr= 1--       2.318                  3.726                 15.892
 ROA2   Fr= 1--      -7.922                -35.865                 24.201
 CID2   Fr= 1--      -3.418                 -9.625                  1.523
 Raman3 Fr= 1--       4.635                  7.452                 31.785
 ROA3   Fr= 1--      16.527               -178.428                102.419
 CID3   Fr= 1--       3.566                -23.942                  3.222
 RC180  Fr= 1--      -0.104                 -0.009                  0.232
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.03     0.03  -0.01   0.05     0.03   0.01   0.01
     2   6     0.01  -0.01   0.04     0.00   0.02  -0.05    -0.03  -0.05  -0.02
     3   6     0.02   0.01  -0.01    -0.03   0.01   0.02    -0.02   0.00   0.01
     4   6    -0.05  -0.04   0.04    -0.04  -0.03  -0.01    -0.02   0.00  -0.02
     5   6    -0.03   0.02  -0.04     0.03   0.01  -0.01     0.03  -0.00   0.01
     6   6     0.02   0.00  -0.05     0.01  -0.01   0.02    -0.02   0.01   0.02
     7   6    -0.01  -0.01   0.05    -0.01   0.01  -0.07     0.01   0.11   0.00
     8   6     0.01   0.01  -0.05    -0.03  -0.01   0.09     0.17  -0.15  -0.07
     9   6    -0.01  -0.00   0.02     0.02  -0.00  -0.03    -0.08   0.09  -0.03
    10   6    -0.00  -0.02   0.03     0.01   0.02  -0.05    -0.06   0.03   0.09
    11   6    -0.02   0.11  -0.03     0.01   0.11   0.07    -0.01   0.00   0.00
    12   6    -0.02  -0.00   0.02    -0.00   0.07   0.02     0.00   0.03   0.01
    13   8     0.02  -0.01   0.03     0.01  -0.01   0.03     0.00  -0.00   0.01
    14   8     0.00  -0.01  -0.00    -0.01  -0.06  -0.05    -0.00  -0.02  -0.02
    15   1    -0.04  -0.01  -0.00     0.07   0.01   0.02     0.19  -0.07  -0.10
    16   1     0.17  -0.07   0.06    -0.16  -0.02  -0.04    -0.14   0.01  -0.04
    17   1    -0.09  -0.04  -0.00     0.17  -0.03  -0.11     0.16  -0.01  -0.08
    18   1     0.13  -0.02  -0.00     0.01   0.00   0.03    -0.13  -0.03  -0.04
    19   1    -0.29  -0.07   0.01     0.41   0.09  -0.01    -0.22  -0.01   0.02
    20   1     0.26   0.02  -0.07    -0.38  -0.01   0.10    -0.09  -0.09  -0.03
    21   1     0.13   0.15  -0.05    -0.20  -0.18   0.09     0.19  -0.42  -0.19
    22   1    -0.08   0.03  -0.02     0.12  -0.04   0.03    -0.21  -0.11   0.12
    23   1     0.08  -0.01  -0.03    -0.09   0.01   0.04    -0.40  -0.09   0.07
    24   1    -0.06   0.01  -0.04     0.08  -0.01   0.05     0.22  -0.07   0.00
    25   1     0.00   0.13   0.08    -0.01  -0.19  -0.12     0.08   0.13   0.07
    26   1     0.00   0.06  -0.03    -0.00  -0.11   0.02     0.00   0.22   0.20
    27   1    -0.00  -0.05  -0.11    -0.00   0.08   0.16     0.10  -0.08  -0.06
    28   1    -0.21   0.37  -0.08    -0.10   0.06   0.05     0.04  -0.06   0.02
    29   6     0.07  -0.09  -0.00     0.05  -0.08  -0.06     0.01  -0.01   0.00
    30   1    -0.02  -0.06  -0.07     0.03   0.06   0.13     0.01   0.05   0.07
    31   1    -0.20   0.08  -0.06    -0.25  -0.14  -0.10    -0.01   0.01  -0.00
    32   1     0.11   0.37   0.07     0.09   0.25   0.16     0.01   0.03   0.01
    33   1    -0.32  -0.31  -0.15    -0.23  -0.16  -0.00    -0.03  -0.02  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1148.2261              1161.6316              1193.8704
 Red. masses --      1.5705                 2.0662                 1.7718
 Frc consts  --      1.2200                 1.6427                 1.4879
 IR Inten    --     41.0964               149.3693                10.0603
 RamAct Fr= 1--      6.0700                 1.3319                 2.5673
  Dep-P Fr= 1--      0.1594                 0.4847                 0.5336
  Dep-U Fr= 1--      0.2750                 0.6529                 0.6959
 Alpha2 Fr= 1--      0.0916                 0.0071                 0.0107
 Beta2  Fr= 1--      0.2782                 0.1449                 0.2977
 AlphaG Fr= 1--     -0.0091                -0.0192                -0.0150
 Gamma2 Fr= 1--      0.0918                -1.9980                 1.2864
 Delta2 Fr= 1--      0.4893                -0.7796                -0.4933
 Raman1 Fr= 1--      24.280                  5.328                 10.269
 ROA1   Fr= 1--      24.468               -216.753                107.711
 CID1   Fr= 1--       1.008                -40.684                 10.489
 Raman2 Fr= 1--       3.338                  1.739                  3.573
 ROA2   Fr= 1--      -1.712                -41.715                 34.821
 CID2   Fr= 1--      -0.513                -23.984                  9.746
 Raman3 Fr= 1--       6.676                  3.478                  7.146
 ROA3   Fr= 1--      24.468               -216.753                107.711
 CID3   Fr= 1--       3.665                -62.313                 15.073
 RC180  Fr= 1--      -0.450                  0.306                  0.392
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.01   0.00    -0.03   0.00   0.01     0.00  -0.00   0.01
     2   6     0.02   0.01  -0.01    -0.01   0.00   0.01     0.01   0.00  -0.01
     3   6    -0.07   0.00   0.04     0.04  -0.01   0.01     0.00  -0.00   0.00
     4   6    -0.04   0.01  -0.03    -0.04   0.02  -0.00    -0.00   0.00  -0.00
     5   6     0.05  -0.01   0.01    -0.05   0.00   0.00    -0.01   0.00   0.00
     6   6    -0.05   0.00   0.00     0.05  -0.00  -0.02     0.00  -0.00   0.00
     7   6    -0.01  -0.04   0.06    -0.00   0.01  -0.02    -0.01  -0.05   0.03
     8   6    -0.04   0.06  -0.04     0.00  -0.01   0.01     0.14   0.13   0.05
     9   6     0.02  -0.03   0.03     0.00   0.01  -0.01    -0.06  -0.07  -0.08
    10   6     0.01  -0.02   0.01     0.00   0.01  -0.01    -0.11  -0.04  -0.04
    11   6    -0.00  -0.02  -0.01    -0.03  -0.07  -0.11     0.00   0.00  -0.00
    12   6     0.01   0.08   0.02     0.01   0.16   0.05     0.00   0.00   0.00
    13   8     0.01  -0.01   0.02     0.02  -0.02   0.05     0.00  -0.00   0.00
    14   8    -0.01  -0.04  -0.06    -0.02  -0.08  -0.11    -0.00  -0.00  -0.00
    15   1     0.44  -0.02  -0.23    -0.18   0.01   0.11    -0.01   0.01   0.02
    16   1    -0.30   0.04  -0.06     0.35  -0.02   0.15    -0.02   0.00  -0.01
    17   1     0.31  -0.01  -0.17    -0.24   0.03   0.13    -0.01   0.00   0.01
    18   1    -0.38   0.05  -0.14     0.31  -0.03   0.10     0.03  -0.00   0.02
    19   1    -0.16  -0.01  -0.02     0.05  -0.00   0.01     0.04   0.00   0.00
    20   1     0.21  -0.02  -0.04    -0.04   0.02   0.01    -0.19  -0.19   0.06
    21   1     0.03   0.21  -0.00    -0.02  -0.03   0.01     0.29   0.31   0.05
    22   1     0.00   0.06  -0.06     0.00  -0.01   0.01     0.34  -0.00  -0.03
    23   1     0.18   0.02  -0.04    -0.03  -0.01   0.01    -0.21   0.20   0.13
    24   1    -0.12   0.03  -0.03     0.03  -0.01   0.00    -0.23   0.10   0.20
    25   1    -0.02   0.08   0.06    -0.00  -0.03  -0.02     0.23  -0.09  -0.21
    26   1     0.00  -0.01  -0.09    -0.00  -0.01   0.01    -0.00   0.26   0.24
    27   1    -0.03  -0.02  -0.08     0.00   0.01   0.03     0.21  -0.22  -0.16
    28   1     0.14  -0.16   0.03     0.21  -0.27  -0.05     0.01  -0.01   0.00
    29   6     0.01  -0.01   0.02     0.01   0.01   0.09     0.00  -0.00   0.00
    30   1     0.04   0.13   0.20     0.07   0.25   0.40     0.00   0.01   0.01
    31   1     0.03   0.07   0.02     0.15   0.29   0.10    -0.00   0.00  -0.00
    32   1     0.00   0.02  -0.02    -0.02   0.03  -0.15     0.00   0.00   0.00
    33   1    -0.02  -0.04  -0.03    -0.01  -0.12  -0.15    -0.00  -0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1212.1002              1222.8869              1236.8451
 Red. masses --      1.2524                 2.1670                 2.3708
 Frc consts  --      1.0841                 1.9093                 2.1368
 IR Inten    --      3.2496                 8.1453                 2.1454
 RamAct Fr= 1--     41.4661                38.3262                27.6869
  Dep-P Fr= 1--      0.0952                 0.1576                 0.1287
  Dep-U Fr= 1--      0.1739                 0.2723                 0.2281
 Alpha2 Fr= 1--      0.7345                 0.5812                 0.4515
 Beta2  Fr= 1--      1.2019                 1.7391                 1.0525
 AlphaG Fr= 1--     -0.3294                -0.0911                -0.1367
 Gamma2 Fr= 1--     -3.7035                 0.1649                -0.2214
 Delta2 Fr= 1--      0.9878                -0.4366                 0.2723
 Raman1 Fr= 1--     165.864                153.305                110.747
 ROA1   Fr= 1--    -323.922                  1.861                -12.542
 CID1   Fr= 1--      -1.953                  0.012                 -0.113
 Raman2 Fr= 1--      14.423                 20.870                 12.630
 ROA2   Fr= 1--     -96.786                  7.452                 -7.492
 CID2   Fr= 1--      -6.711                  0.357                 -0.593
 Raman3 Fr= 1--      28.845                 41.739                 25.259
 ROA3   Fr= 1--    -323.922                  1.861                -12.542
 CID3   Fr= 1--     -11.230                  0.045                 -0.497
 RC180  Fr= 1--      -0.652                 -0.455                 -0.544
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.05    -0.09   0.01  -0.03     0.05  -0.00  -0.01
     2   6     0.04  -0.01  -0.01    -0.04   0.01   0.01     0.29  -0.04  -0.03
     3   6     0.02  -0.00   0.04     0.06  -0.01  -0.02    -0.07   0.00   0.06
     4   6    -0.09   0.01  -0.00     0.23  -0.02   0.00     0.05  -0.00   0.01
     5   6     0.01   0.00  -0.04     0.08  -0.01  -0.02    -0.08   0.01  -0.06
     6   6    -0.01   0.00  -0.04    -0.10   0.01   0.04     0.05  -0.00   0.01
     7   6    -0.02   0.00   0.00     0.02  -0.01  -0.00    -0.10   0.04   0.01
     8   6     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.01   0.01  -0.03
     9   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.02
    10   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.01   0.02
    11   6     0.04   0.00   0.00    -0.10  -0.01  -0.02     0.01  -0.01  -0.00
    12   6    -0.00  -0.01  -0.00    -0.00   0.03   0.01    -0.00   0.00   0.00
    13   8    -0.00   0.00  -0.01     0.01  -0.01   0.03     0.00  -0.00   0.01
    14   8     0.00   0.00   0.01    -0.01  -0.02  -0.03    -0.00  -0.00  -0.01
    15   1    -0.33   0.01   0.27    -0.41   0.03   0.18    -0.29   0.00   0.24
    16   1     0.50  -0.06   0.27    -0.00   0.00  -0.06    -0.39   0.04  -0.08
    17   1     0.38  -0.01  -0.29     0.21  -0.01  -0.10    -0.35   0.02   0.12
    18   1    -0.37   0.05  -0.21    -0.50   0.06  -0.13    -0.19   0.03  -0.11
    19   1    -0.03   0.00  -0.00     0.06   0.02  -0.02    -0.29  -0.05   0.03
    20   1    -0.06  -0.01   0.01     0.03   0.01   0.00    -0.46  -0.16   0.08
    21   1    -0.00  -0.01  -0.01     0.01  -0.01  -0.01    -0.07  -0.04  -0.03
    22   1    -0.01   0.00   0.00     0.01   0.00  -0.01    -0.05   0.02  -0.01
    23   1    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.05  -0.02  -0.02
    24   1     0.00   0.00  -0.00    -0.02   0.00   0.00    -0.01  -0.00  -0.04
    25   1     0.00   0.01   0.01     0.00   0.01   0.00    -0.02   0.04   0.04
    26   1    -0.00   0.01  -0.00     0.00   0.01   0.00    -0.00   0.00  -0.05
    27   1     0.00  -0.00  -0.01     0.00  -0.01  -0.01    -0.02  -0.00  -0.03
    28   1     0.20  -0.01   0.04    -0.53   0.01  -0.11    -0.14   0.02  -0.04
    29   6    -0.01  -0.00  -0.02     0.02   0.00   0.04    -0.00   0.00   0.01
    30   1    -0.01  -0.03  -0.05     0.03   0.11   0.17     0.01   0.04   0.06
    31   1     0.01  -0.03  -0.01    -0.02   0.11   0.03     0.01   0.01   0.01
    32   1    -0.01  -0.02   0.02     0.01   0.05  -0.03    -0.01  -0.02  -0.03
    33   1     0.03   0.03   0.02    -0.07  -0.08  -0.05     0.01  -0.01  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1247.5578              1280.2618              1309.1043
 Red. masses --      1.6163                 1.7494                 1.5903
 Frc consts  --      1.4822                 1.6894                 1.6058
 IR Inten    --      2.0550                 3.0947                 4.7538
 RamAct Fr= 1--      4.6945                 4.5018                 5.8612
  Dep-P Fr= 1--      0.5192                 0.5500                 0.5527
  Dep-U Fr= 1--      0.6835                 0.7097                 0.7120
 Alpha2 Fr= 1--      0.0211                 0.0172                 0.0221
 Beta2  Fr= 1--      0.5348                 0.5325                 0.6955
 AlphaG Fr= 1--      0.0176                -0.0141                -0.0474
 Gamma2 Fr= 1--      1.7271                 1.0439                -4.3120
 Delta2 Fr= 1--     -0.1012                 0.0466                -0.0676
 Raman1 Fr= 1--      18.778                 18.007                 23.445
 ROA1   Fr= 1--     162.564                101.704               -416.119
 CID1   Fr= 1--       8.657                  5.648                -17.749
 Raman2 Fr= 1--       6.418                  6.390                  8.346
 ROA2   Fr= 1--      42.260                 24.680               -102.948
 CID2   Fr= 1--       6.585                  3.862                -12.335
 Raman3 Fr= 1--      12.835                 12.780                 16.692
 ROA3   Fr= 1--     162.564                101.704               -416.119
 CID3   Fr= 1--      12.665                  7.958                -24.930
 RC180  Fr= 1--       0.367                  0.419                  0.424
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.00  -0.04    -0.04   0.00   0.01    -0.03   0.00   0.03
     2   6     0.04  -0.02   0.07     0.02  -0.01  -0.03    -0.00  -0.00  -0.03
     3   6    -0.03   0.00  -0.01     0.03  -0.00   0.05     0.03  -0.01   0.03
     4   6    -0.00  -0.00   0.04     0.07  -0.01  -0.12     0.01   0.01  -0.09
     5   6     0.01   0.00  -0.03    -0.01  -0.00   0.03    -0.02   0.00   0.03
     6   6    -0.02   0.01  -0.03     0.02  -0.00   0.04     0.03  -0.00   0.02
     7   6    -0.02   0.02  -0.05     0.00   0.01  -0.00     0.02   0.01  -0.00
     8   6     0.01  -0.06   0.14     0.00  -0.01   0.02     0.01   0.00  -0.00
     9   6     0.00   0.02  -0.05     0.00  -0.00  -0.00     0.00  -0.01   0.01
    10   6    -0.01   0.05  -0.08    -0.00   0.01  -0.01    -0.00   0.00  -0.01
    11   6     0.03  -0.01  -0.01    -0.14   0.06   0.02    -0.07  -0.06   0.02
    12   6    -0.01  -0.00   0.00     0.04   0.06   0.00     0.01  -0.12  -0.03
    13   8     0.00  -0.00   0.01    -0.02  -0.01  -0.04     0.01   0.02   0.05
    14   8    -0.00   0.00  -0.01     0.01  -0.02   0.04    -0.02   0.04  -0.04
    15   1     0.05  -0.01  -0.06     0.04  -0.00  -0.04     0.08  -0.01  -0.05
    16   1    -0.01   0.00  -0.00     0.09  -0.02   0.08     0.10  -0.01   0.06
    17   1    -0.02   0.00  -0.01    -0.24   0.00   0.19    -0.11   0.00   0.09
    18   1    -0.15   0.01  -0.10    -0.22   0.02  -0.07    -0.11   0.01  -0.04
    19   1    -0.41  -0.32   0.13    -0.18  -0.10   0.04    -0.14  -0.09   0.03
    20   1     0.36   0.35  -0.07     0.08   0.04  -0.02     0.01  -0.02  -0.01
    21   1    -0.03   0.15   0.25    -0.04   0.06   0.07    -0.10   0.03   0.07
    22   1     0.07  -0.09   0.07     0.00  -0.01   0.01    -0.01   0.01  -0.01
    23   1    -0.14   0.01   0.04    -0.00   0.00   0.00     0.02   0.00  -0.00
    24   1     0.11  -0.00   0.09     0.00   0.00   0.01    -0.03   0.01  -0.00
    25   1     0.01  -0.27  -0.20     0.00  -0.05  -0.04     0.01  -0.02  -0.02
    26   1    -0.01  -0.13   0.14    -0.00  -0.02   0.02    -0.00  -0.00   0.01
    27   1     0.07   0.07   0.20     0.01   0.01   0.03     0.01   0.00   0.01
    28   1    -0.08   0.03  -0.03     0.52  -0.34   0.18     0.28   0.54   0.05
    29   6    -0.01   0.00   0.01     0.05  -0.02  -0.01     0.03   0.02  -0.06
    30   1     0.01   0.03   0.04    -0.08  -0.28  -0.36     0.08   0.37   0.50
    31   1     0.03   0.01   0.01    -0.15   0.00  -0.04    -0.08  -0.11  -0.06
    32   1    -0.02  -0.04  -0.03     0.06   0.13   0.03     0.06   0.06   0.14
    33   1     0.03   0.01  -0.02    -0.14  -0.07   0.03    -0.02   0.09   0.13
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1319.0404              1349.7460              1363.6003
 Red. masses --      1.3480                 2.2011                 1.5733
 Frc consts  --      1.3818                 2.3626                 1.7236
 IR Inten    --      0.8518                 0.5430                 0.6094
 RamAct Fr= 1--     15.1087                 1.2917                12.7827
  Dep-P Fr= 1--      0.2978                 0.7495                 0.4577
  Dep-U Fr= 1--      0.4589                 0.8568                 0.6280
 Alpha2 Fr= 1--      0.1560                 0.0000                 0.0759
 Beta2  Fr= 1--      1.1556                 0.1845                 1.3379
 AlphaG Fr= 1--     -0.0298                 0.0029                -0.0874
 Gamma2 Fr= 1--      4.2809                -3.0725                 7.3027
 Delta2 Fr= 1--      0.3930                -0.8242                 4.3605
 Raman1 Fr= 1--      60.435                  5.167                 51.131
 ROA1   Fr= 1--     423.541               -321.331                840.593
 CID1   Fr= 1--       7.008                -62.193                 16.440
 Raman2 Fr= 1--      13.868                  2.213                 16.054
 ROA2   Fr= 1--      99.597                -67.146                140.380
 CID2   Fr= 1--       7.182                -30.335                  8.744
 Raman3 Fr= 1--      27.735                  4.427                 32.109
 ROA3   Fr= 1--     423.541               -321.331                840.593
 CID3   Fr= 1--      15.271                -72.585                 26.179
 RC180  Fr= 1--      -0.082                  0.714                  0.256
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.01     0.06  -0.00  -0.06     0.08  -0.00  -0.05
     2   6     0.05   0.02   0.02     0.00  -0.01   0.19    -0.01  -0.00  -0.00
     3   6    -0.02  -0.00   0.01    -0.12   0.01  -0.06    -0.03   0.00  -0.01
     4   6     0.01   0.00  -0.01     0.02  -0.00   0.07     0.03  -0.01   0.11
     5   6    -0.00   0.00  -0.01     0.11  -0.01  -0.07     0.04  -0.00  -0.01
     6   6     0.01  -0.00   0.00    -0.08   0.01  -0.04    -0.10   0.01  -0.03
     7   6    -0.11  -0.06   0.03    -0.01  -0.00  -0.06     0.05   0.02   0.02
     8   6    -0.04  -0.04   0.03     0.04   0.08  -0.00    -0.04  -0.05  -0.01
     9   6    -0.01   0.04  -0.05    -0.00  -0.03   0.01     0.01   0.01  -0.00
    10   6     0.02  -0.01   0.01    -0.00  -0.03   0.02     0.01   0.02  -0.01
    11   6    -0.02  -0.01   0.00    -0.04  -0.02  -0.01    -0.08  -0.03  -0.02
    12   6     0.00  -0.01  -0.00     0.00   0.00   0.00     0.01   0.02   0.00
    13   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1     0.01   0.02  -0.01     0.19  -0.00  -0.14    -0.33   0.01   0.23
    16   1     0.01   0.00   0.03     0.35  -0.04   0.15    -0.22   0.03  -0.09
    17   1    -0.12   0.01   0.07    -0.32   0.02   0.23     0.19  -0.00  -0.11
    18   1    -0.11   0.02  -0.05    -0.17   0.03  -0.08     0.33  -0.05   0.17
    19   1     0.42   0.33  -0.14     0.18  -0.00   0.01    -0.05  -0.02   0.02
    20   1     0.29   0.24  -0.03    -0.24   0.01   0.07    -0.14  -0.18   0.02
    21   1     0.57   0.00  -0.25    -0.24  -0.46  -0.09     0.20   0.31   0.02
    22   1     0.07  -0.08   0.07     0.01   0.06  -0.05    -0.01  -0.03   0.02
    23   1    -0.14  -0.02   0.01     0.04   0.06   0.02    -0.03  -0.05  -0.01
    24   1     0.17  -0.03   0.04    -0.07   0.01   0.01     0.02  -0.00  -0.02
    25   1    -0.05   0.05   0.06     0.04   0.07   0.03    -0.05  -0.05  -0.01
    26   1     0.01  -0.01   0.00    -0.00   0.05  -0.07    -0.00  -0.04   0.03
    27   1    -0.04   0.02   0.01     0.00  -0.05  -0.08    -0.02   0.03   0.01
    28   1     0.10   0.07   0.02     0.26   0.09   0.05     0.53   0.17   0.10
    29   6     0.01   0.00  -0.01     0.01   0.01  -0.01     0.02   0.00  -0.02
    30   1     0.01   0.04   0.06    -0.00   0.00   0.01    -0.01  -0.01  -0.01
    31   1    -0.03  -0.02  -0.01    -0.05  -0.03  -0.02    -0.06  -0.02  -0.04
    32   1     0.01   0.01   0.02     0.01   0.01   0.00     0.04   0.04   0.06
    33   1    -0.01   0.01   0.02    -0.02   0.01   0.02    -0.04   0.04   0.08
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1372.4887              1374.8686              1392.4356
 Red. masses --      1.4759                 1.3048                 1.9967
 Frc consts  --      1.6380                 1.4532                 2.2810
 IR Inten    --      0.4914                 4.3905                41.8845
 RamAct Fr= 1--      3.3788                15.4298                 4.7551
  Dep-P Fr= 1--      0.1961                 0.5068                 0.7411
  Dep-U Fr= 1--      0.3278                 0.6727                 0.8513
 Alpha2 Fr= 1--      0.0464                 0.0738                 0.0007
 Beta2  Fr= 1--      0.1846                 1.7299                 0.6747
 AlphaG Fr= 1--     -0.1680                -0.1272                -0.0098
 Gamma2 Fr= 1--     -2.4090                -4.9562                 1.3839
 Delta2 Fr= 1--     -0.3925                 1.2025                -1.7899
 Raman1 Fr= 1--      13.515                 61.719                 19.021
 ROA1   Fr= 1--    -243.819               -437.311                 75.581
 CID1   Fr= 1--     -18.041                 -7.085                  3.974
 Raman2 Fr= 1--       2.215                 20.759                  8.096
 ROA2   Fr= 1--     -54.675               -128.568                 47.534
 CID2   Fr= 1--     -24.680                 -6.193                  5.871
 Raman3 Fr= 1--       4.431                 41.518                 16.192
 ROA3   Fr= 1--    -243.819               -437.311                 75.581
 CID3   Fr= 1--     -55.028                -10.533                  4.668
 RC180  Fr= 1--      -0.344                  0.345                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.01    -0.01   0.00   0.02    -0.04   0.00   0.01
     2   6    -0.02  -0.01  -0.01    -0.01  -0.01   0.05    -0.00   0.00   0.00
     3   6     0.01  -0.00  -0.00    -0.03   0.01  -0.02     0.02  -0.01  -0.00
     4   6    -0.00   0.00  -0.01    -0.01   0.00  -0.03    -0.00   0.02  -0.02
     5   6    -0.00   0.00   0.01     0.03  -0.00  -0.02    -0.01   0.00  -0.00
     6   6     0.01   0.00   0.00     0.01  -0.00   0.01     0.03  -0.00   0.01
     7   6     0.09   0.03  -0.03     0.06   0.03   0.01     0.00   0.00  -0.00
     8   6    -0.12   0.07   0.08    -0.05  -0.09  -0.04    -0.01  -0.00  -0.00
     9   6    -0.00  -0.01  -0.05     0.01   0.02   0.00    -0.00   0.00  -0.00
    10   6     0.04  -0.01   0.03     0.00   0.03  -0.02     0.00   0.00   0.00
    11   6     0.01   0.01   0.00     0.03   0.01   0.01     0.02  -0.17   0.02
    12   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.04   0.20   0.06
    13   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.03  -0.02
    14   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.06   0.01
    15   1     0.05  -0.01  -0.03     0.20  -0.02  -0.13     0.09  -0.00  -0.07
    16   1     0.03  -0.01   0.01     0.26  -0.04   0.11     0.02   0.03  -0.00
    17   1     0.01  -0.00  -0.00    -0.20   0.01   0.14    -0.02   0.01   0.00
    18   1    -0.01  -0.01  -0.01    -0.19   0.01  -0.08    -0.12   0.01  -0.06
    19   1    -0.35  -0.28   0.11     0.11   0.03   0.03     0.00  -0.01   0.01
    20   1    -0.19  -0.15   0.03    -0.34  -0.34   0.04    -0.03  -0.03   0.00
    21   1     0.51  -0.31  -0.40     0.24   0.57   0.10     0.02   0.03  -0.00
    22   1     0.14  -0.04   0.01    -0.04  -0.03   0.03     0.01  -0.00   0.00
    23   1    -0.03   0.08   0.01    -0.06  -0.10  -0.02    -0.00  -0.00  -0.00
    24   1     0.09  -0.00   0.11     0.00   0.00  -0.07     0.00  -0.00  -0.00
    25   1    -0.06  -0.09   0.04    -0.06  -0.06  -0.02    -0.00  -0.01  -0.00
    26   1    -0.01  -0.13  -0.18     0.00  -0.03   0.07    -0.00  -0.01  -0.00
    27   1    -0.07  -0.02  -0.19    -0.02   0.06   0.06     0.00  -0.00  -0.01
    28   1    -0.06  -0.03  -0.01    -0.19  -0.08  -0.03    -0.09   0.76  -0.04
    29   6    -0.00  -0.00   0.00    -0.01   0.00   0.01     0.01   0.05  -0.03
    30   1     0.00   0.01   0.01     0.01   0.02   0.02    -0.06  -0.27  -0.35
    31   1     0.01   0.01   0.00     0.01  -0.00   0.01     0.03  -0.22  -0.02
    32   1    -0.00  -0.00  -0.01    -0.01  -0.02  -0.04     0.02  -0.13   0.14
    33   1     0.00  -0.00  -0.01     0.01  -0.02  -0.04    -0.06   0.03  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.4180              1415.8887              1422.9673
 Red. masses --      1.2576                 1.2215                 1.2351
 Frc consts  --      1.4593                 1.4428                 1.4735
 IR Inten    --      5.8724                10.8553                 6.6039
 RamAct Fr= 1--      0.0659                 1.0186                 1.1927
  Dep-P Fr= 1--      0.5541                 0.5447                 0.4578
  Dep-U Fr= 1--      0.7130                 0.7052                 0.6280
 Alpha2 Fr= 1--      0.0002                 0.0040                 0.0071
 Beta2  Fr= 1--      0.0078                 0.1197                 0.1248
 AlphaG Fr= 1--     -0.0018                 0.0006                -0.0088
 Gamma2 Fr= 1--      0.0584                -0.1006                -0.0254
 Delta2 Fr= 1--     -0.0268                 0.0931                 0.0922
 Raman1 Fr= 1--       0.263                  4.075                  4.771
 ROA1   Fr= 1--       4.754                 -6.680                  0.509
 CID1   Fr= 1--      18.047                 -1.639                  0.107
 Raman2 Fr= 1--       0.094                  1.437                  1.498
 ROA2   Fr= 1--       1.617                 -3.160                 -1.349
 CID2   Fr= 1--      17.213                 -2.199                 -0.900
 Raman3 Fr= 1--       0.188                  2.874                  2.996
 ROA3   Fr= 1--       4.754                 -6.680                  0.509
 CID3   Fr= 1--      25.310                 -2.325                  0.170
 RC180  Fr= 1--       0.426                  0.410                  0.256
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.01   0.00  -0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00  -0.00   0.01    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.01  -0.00   0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.01   0.00   0.01     0.00   0.00  -0.00     0.02   0.01  -0.01
     8   6     0.02  -0.02  -0.02    -0.00  -0.00  -0.00    -0.00   0.01   0.01
     9   6    -0.10   0.02   0.03     0.00   0.00   0.00    -0.09   0.01   0.01
    10   6    -0.02   0.07   0.07    -0.00   0.00   0.00     0.01  -0.07  -0.08
    11   6     0.00   0.00   0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.02   0.01    -0.00   0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    15   1     0.00  -0.00  -0.00     0.02  -0.00  -0.03    -0.00  -0.00   0.00
    16   1     0.01  -0.00   0.01    -0.02   0.00  -0.01     0.01  -0.00   0.00
    17   1    -0.01   0.00   0.01    -0.03  -0.01   0.01    -0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00    -0.04   0.01  -0.02     0.00  -0.00   0.00
    19   1     0.06   0.04  -0.01     0.02   0.00   0.00    -0.09  -0.03  -0.00
    20   1     0.01  -0.01  -0.01    -0.02  -0.01   0.00    -0.07  -0.01   0.03
    21   1    -0.06   0.06   0.06     0.00   0.01   0.00     0.02  -0.01  -0.01
    22   1     0.40   0.07   0.07     0.00   0.00   0.00     0.37   0.05   0.06
    23   1     0.37  -0.03  -0.24    -0.00  -0.00  -0.00     0.33   0.04  -0.20
    24   1     0.35  -0.23  -0.07    -0.00  -0.00  -0.00     0.32  -0.20   0.01
    25   1     0.14  -0.31  -0.17     0.00  -0.00  -0.00    -0.12   0.37   0.16
    26   1    -0.11  -0.24  -0.26    -0.00  -0.00  -0.00     0.12   0.26   0.29
    27   1     0.15  -0.13  -0.31     0.00  -0.00  -0.00    -0.12   0.13   0.38
    28   1    -0.00  -0.01  -0.00    -0.02   0.05  -0.00    -0.00   0.00  -0.00
    29   6    -0.00   0.00   0.00    -0.06  -0.11  -0.05    -0.00  -0.00  -0.00
    30   1     0.00   0.00   0.00    -0.00  -0.03  -0.04    -0.00  -0.00  -0.00
    31   1    -0.00  -0.00   0.00     0.30   0.50  -0.01     0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00     0.04   0.47   0.25     0.00   0.00   0.00
    33   1    -0.00  -0.00  -0.00     0.34   0.28   0.39     0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.0736              1485.4746              1490.3400
 Red. masses --      2.4874                 1.0756                 1.0459
 Frc consts  --      3.1243                 1.3985                 1.3687
 IR Inten    --      8.5231                 0.4986                 1.9538
 RamAct Fr= 1--      0.4130                 1.6455                10.0029
  Dep-P Fr= 1--      0.3921                 0.6602                 0.7301
  Dep-U Fr= 1--      0.5633                 0.7953                 0.8440
 Alpha2 Fr= 1--      0.0031                 0.0026                 0.0034
 Beta2  Fr= 1--      0.0388                 0.2181                 1.4071
 AlphaG Fr= 1--      0.0210                -0.0306                 0.0064
 Gamma2 Fr= 1--      2.4162                -1.3122                -2.0128
 Delta2 Fr= 1--     -1.2711                 0.2231                 0.8203
 Raman1 Fr= 1--       1.652                  6.582                 40.012
 ROA1   Fr= 1--     191.279               -118.835               -166.978
 CID1   Fr= 1--     115.784                -18.055                 -4.173
 Raman2 Fr= 1--       0.465                  2.617                 16.885
 ROA2   Fr= 1--      68.158                -33.279                -54.869
 CID2   Fr= 1--     146.486                -12.714                 -3.250
 Raman3 Fr= 1--       0.931                  5.235                 33.771
 ROA3   Fr= 1--     191.279               -118.835               -166.978
 CID3   Fr= 1--     205.551                -22.700                 -4.944
 RC180  Fr= 1--       0.127                  0.591                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.14   0.02  -0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.02  -0.01   0.15     0.01   0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.14  -0.01  -0.04    -0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6     0.01  -0.01   0.15     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.14   0.01  -0.02    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.13  -0.01  -0.05    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.01  -0.04    -0.05   0.04  -0.00     0.02  -0.02   0.00
     8   6    -0.00  -0.01  -0.01     0.01  -0.01  -0.00    -0.01  -0.00   0.01
     9   6    -0.00   0.00   0.01    -0.01  -0.03  -0.00     0.00  -0.02   0.03
    10   6     0.00  -0.00   0.00     0.03   0.01  -0.01    -0.01   0.03  -0.02
    11   6    -0.04   0.01  -0.04     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.02  -0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    14   8    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1     0.23  -0.00  -0.30    -0.02   0.00   0.01     0.01   0.00  -0.01
    16   1    -0.32   0.05  -0.27    -0.00   0.00   0.00    -0.00   0.00  -0.00
    17   1     0.25   0.00  -0.31    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   1    -0.27   0.04  -0.24    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1     0.19  -0.01   0.05     0.26  -0.21   0.30    -0.10   0.09  -0.12
    20   1    -0.21  -0.12   0.01     0.20  -0.32  -0.26    -0.08   0.13   0.11
    21   1     0.01   0.03   0.00    -0.03  -0.01   0.02     0.05  -0.01  -0.03
    22   1     0.04   0.02  -0.00    -0.14   0.18  -0.20     0.07   0.39  -0.32
    23   1    -0.02  -0.04  -0.01     0.05   0.37   0.14    -0.21   0.12   0.20
    24   1    -0.01  -0.01  -0.06     0.21  -0.10   0.11     0.10  -0.17  -0.37
    25   1     0.01  -0.01  -0.01    -0.31  -0.18   0.08    -0.16   0.16   0.11
    26   1     0.00   0.04  -0.02     0.06   0.04   0.23    -0.03  -0.37   0.23
    27   1    -0.03   0.02   0.01    -0.16   0.03  -0.23     0.33  -0.15   0.00
    28   1     0.35  -0.07   0.05    -0.01   0.00  -0.00     0.00  -0.00   0.00
    29   6     0.01   0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.03   0.03    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   1    -0.08  -0.00  -0.01     0.01  -0.00   0.00    -0.01   0.00  -0.00
    32   1    -0.00  -0.03  -0.06     0.00  -0.00   0.01    -0.00   0.00  -0.01
    33   1    -0.04  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.1956              1497.5520              1498.7994
 Red. masses --      1.0467                 1.0749                 1.0560
 Frc consts  --      1.3731                 1.4203                 1.3976
 IR Inten    --      4.6917                 4.4608                 6.8012
 RamAct Fr= 1--      5.1703                 3.4164                 4.7582
  Dep-P Fr= 1--      0.6324                 0.7090                 0.6922
  Dep-U Fr= 1--      0.7748                 0.8297                 0.8181
 Alpha2 Fr= 1--      0.0110                 0.0024                 0.0048
 Beta2  Fr= 1--      0.6677                 0.4724                 0.6488
 AlphaG Fr= 1--      0.0121                -0.0045                 0.0477
 Gamma2 Fr= 1--     -0.5158                -1.4516                 1.6023
 Delta2 Fr= 1--     -0.9844                 0.5118                 1.3658
 Raman1 Fr= 1--      20.681                 13.665                 19.033
 ROA1   Fr= 1--     -81.023               -122.974                197.525
 CID1   Fr= 1--      -3.918                 -8.999                 10.378
 Raman2 Fr= 1--       8.012                  5.669                  7.785
 ROA2   Fr= 1--      -4.505                -38.932                 27.529
 CID2   Fr= 1--      -0.562                 -6.867                  3.536
 Raman3 Fr= 1--      16.025                 11.338                 15.571
 ROA3   Fr= 1--     -81.023               -122.974                197.525
 CID3   Fr= 1--      -5.056                -10.846                 12.685
 RC180  Fr= 1--       0.550                  0.659                  0.636
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01     0.01  -0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.01  -0.00  -0.00     0.01   0.01  -0.01    -0.00  -0.00   0.01
     3   6    -0.01   0.00  -0.00    -0.01   0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00  -0.01     0.00  -0.00   0.00
     5   6    -0.01  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.01  -0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00   0.00    -0.04   0.04  -0.01     0.01  -0.01  -0.00
     8   6    -0.00   0.00   0.00    -0.02   0.01   0.02     0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00     0.01   0.01   0.02    -0.00  -0.00  -0.00
    10   6    -0.00  -0.00  -0.00    -0.03  -0.02  -0.00     0.01   0.00   0.00
    11   6     0.02  -0.00  -0.01    -0.00   0.00  -0.00    -0.02   0.03  -0.02
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    13   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.01
    14   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1     0.02  -0.00  -0.01    -0.03  -0.00   0.02     0.00   0.00  -0.01
    16   1     0.03  -0.00   0.01     0.00  -0.00   0.01    -0.01  -0.00  -0.01
    17   1     0.02   0.00  -0.01    -0.00  -0.00   0.01    -0.01  -0.01   0.00
    18   1     0.02  -0.00   0.01     0.01  -0.00   0.01    -0.00   0.00  -0.01
    19   1     0.00  -0.00   0.00     0.21  -0.26   0.32    -0.04   0.06  -0.07
    20   1     0.00  -0.00  -0.00     0.20  -0.32  -0.26    -0.05   0.07   0.06
    21   1     0.00  -0.00  -0.00     0.04  -0.06  -0.04    -0.01   0.01   0.01
    22   1     0.00  -0.00   0.00     0.19   0.08  -0.02    -0.03  -0.01   0.00
    23   1    -0.00  -0.00  -0.00    -0.16  -0.23  -0.01     0.02   0.04   0.00
    24   1    -0.00   0.00  -0.00    -0.10  -0.03  -0.31     0.01   0.00   0.05
    25   1     0.00   0.00   0.00     0.30   0.23  -0.06    -0.06  -0.05   0.01
    26   1    -0.00  -0.00  -0.00    -0.05  -0.04  -0.21     0.01   0.01   0.04
    27   1     0.00  -0.00   0.00     0.17  -0.03   0.27    -0.04   0.01  -0.06
    28   1    -0.06  -0.03  -0.03    -0.01  -0.02  -0.00     0.02  -0.09  -0.01
    29   6     0.04  -0.00  -0.03    -0.01   0.01  -0.01    -0.02   0.02  -0.03
    30   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.01
    31   1    -0.17   0.48  -0.07     0.13  -0.02   0.02     0.60  -0.08   0.10
    32   1    -0.00  -0.48   0.04     0.01  -0.03   0.13     0.06  -0.16   0.63
    33   1    -0.49   0.06   0.50    -0.06  -0.04  -0.04    -0.30  -0.17  -0.17
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.2162              1511.1605              1551.6654
 Red. masses --      1.0529                 1.0509                 2.4396
 Frc consts  --      1.4036                 1.4139                 3.4607
 IR Inten    --      4.4911                12.5518                25.7721
 RamAct Fr= 1--      7.3666                 0.9049                 0.3211
  Dep-P Fr= 1--      0.7393                 0.5356                 0.6929
  Dep-U Fr= 1--      0.8501                 0.6976                 0.8186
 Alpha2 Fr= 1--      0.0013                 0.0037                 0.0003
 Beta2  Fr= 1--      1.0438                 0.1052                 0.0438
 AlphaG Fr= 1--     -0.0095                 0.0022                -0.0027
 Gamma2 Fr= 1--      0.6241                 1.3375                 0.1578
 Delta2 Fr= 1--     -0.2760                 0.3143                 0.2847
 Raman1 Fr= 1--      29.466                  3.619                  1.284
 ROA1   Fr= 1--      51.079                138.458                 24.257
 CID1   Fr= 1--       1.733                 38.254                 18.888
 Raman2 Fr= 1--      12.525                  1.262                  0.526
 ROA2   Fr= 1--      17.186                 29.586                  1.508
 CID2   Fr= 1--       1.372                 23.435                  2.870
 Raman3 Fr= 1--      25.050                  2.525                  1.051
 ROA3   Fr= 1--      51.079                138.458                 24.257
 CID3   Fr= 1--       2.039                 54.836                 23.073
 RC180  Fr= 1--       0.700                  0.395                  0.637
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.08   0.00   0.10
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.16  -0.01  -0.01
     3   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.10   0.02  -0.09
     4   6     0.00  -0.00   0.01    -0.00   0.00  -0.00     0.15  -0.01  -0.02
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.09   0.00   0.12
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.10   0.02  -0.10
     7   6     0.00   0.01   0.00     0.02  -0.01  -0.00    -0.03   0.00   0.00
     8   6    -0.03  -0.02  -0.02    -0.01  -0.04   0.02    -0.00  -0.01   0.00
     9   6     0.00  -0.02  -0.03    -0.00  -0.02   0.01     0.00   0.00  -0.00
    10   6    -0.03   0.01   0.00    -0.00  -0.02   0.03     0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.03  -0.00   0.01
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    13   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1     0.01  -0.00  -0.01    -0.01  -0.00   0.01     0.38  -0.02  -0.20
    16   1    -0.00   0.00  -0.00    -0.01   0.00   0.00     0.41  -0.05   0.13
    17   1     0.00   0.00  -0.01    -0.01   0.00   0.01     0.44  -0.02  -0.24
    18   1    -0.01   0.00  -0.01    -0.00  -0.00  -0.00     0.45  -0.05   0.14
    19   1     0.03   0.01   0.01    -0.08   0.06  -0.09    -0.04   0.02  -0.01
    20   1    -0.03  -0.04  -0.01    -0.04   0.10   0.07    -0.05   0.02   0.02
    21   1     0.02   0.05  -0.01     0.05   0.06   0.04     0.01   0.00  -0.00
    22   1    -0.31  -0.07  -0.03    -0.04   0.31  -0.28    -0.01   0.01  -0.01
    23   1     0.21   0.41   0.06    -0.12   0.25   0.19    -0.00   0.01   0.01
    24   1     0.20   0.01   0.44     0.17  -0.15  -0.16     0.02  -0.01  -0.00
    25   1     0.28   0.29  -0.03     0.32  -0.12  -0.18     0.00  -0.01  -0.00
    26   1    -0.09  -0.23  -0.17     0.01   0.40  -0.37     0.00   0.02  -0.01
    27   1     0.33  -0.10   0.27    -0.31   0.17   0.13    -0.02   0.01   0.00
    28   1     0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.04   0.02  -0.00
    29   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01  -0.00   0.00
    30   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.04   0.01
    32   1     0.00  -0.00   0.02    -0.00  -0.00  -0.00     0.00   0.06   0.01
    33   1    -0.01  -0.00  -0.01    -0.00   0.00   0.00     0.05  -0.00  -0.04
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1618.4302              1658.3243              1805.7836
 Red. masses --      6.0491                 5.7940                 9.5413
 Frc consts  --      9.3353                 9.3879                18.3312
 IR Inten    --      0.2512                 1.2424               272.4996
 RamAct Fr= 1--      1.9559               132.6841                16.9336
  Dep-P Fr= 1--      0.7337                 0.4690                 0.1711
  Dep-U Fr= 1--      0.8464                 0.6385                 0.2922
 Alpha2 Fr= 1--      0.0005                 0.7520                 0.2480
 Beta2  Fr= 1--      0.2759                14.1204                 0.8247
 AlphaG Fr= 1--     -0.0193                -0.7450                -0.5290
 Gamma2 Fr= 1--      0.1434                -7.1958                -2.3719
 Delta2 Fr= 1--      0.0104                -0.1562                 0.8801
 Raman1 Fr= 1--       7.824                530.736                 67.734
 ROA1   Fr= 1--      14.102               -695.793               -199.537
 CID1   Fr= 1--       1.802                 -1.311                 -2.946
 Raman2 Fr= 1--       3.311                169.445                  9.896
 ROA2   Fr= 1--       3.359               -171.449                -63.966
 CID2   Fr= 1--       1.015                 -1.012                 -6.464
 Raman3 Fr= 1--       6.622                338.889                 19.792
 ROA3   Fr= 1--      14.102               -695.793               -199.537
 CID3   Fr= 1--       2.130                 -2.053                -10.082
 RC180  Fr= 1--       0.693                  0.277                 -0.416
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.01  -0.22     0.27  -0.02  -0.11    -0.01   0.00   0.00
     2   6     0.01  -0.02   0.35    -0.21   0.02   0.03     0.00  -0.00   0.00
     3   6     0.12  -0.03   0.21    -0.28   0.03  -0.06     0.01  -0.00   0.00
     4   6    -0.04   0.03  -0.35     0.19  -0.02  -0.01    -0.02   0.00  -0.00
     5   6    -0.07  -0.01   0.21    -0.28   0.02   0.10     0.01   0.00   0.00
     6   6    -0.11   0.02  -0.19     0.30  -0.03   0.05    -0.01   0.00  -0.01
     7   6     0.01   0.00  -0.04     0.03  -0.01  -0.00    -0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.01     0.01   0.01  -0.00     0.00  -0.00   0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6     0.02  -0.01   0.04    -0.02  -0.00   0.00    -0.01   0.03  -0.05
    12   6     0.00   0.01  -0.01     0.00   0.01   0.02     0.23  -0.14   0.65
    13   8     0.00  -0.00   0.01    -0.00  -0.00  -0.01    -0.14   0.06  -0.42
    14   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.01  -0.06
    15   1    -0.32   0.03   0.05    -0.25   0.01   0.26     0.00   0.00  -0.01
    16   1    -0.33   0.03   0.01     0.28  -0.04   0.20    -0.02   0.01  -0.01
    17   1     0.28  -0.02  -0.02     0.28  -0.01  -0.29     0.02  -0.02  -0.01
    18   1     0.28  -0.02  -0.02    -0.31   0.04  -0.23     0.02  -0.00   0.01
    19   1     0.16   0.04  -0.02     0.03   0.01  -0.01     0.00   0.00   0.00
    20   1    -0.23  -0.02   0.07     0.01   0.00   0.01    -0.00  -0.00  -0.00
    21   1    -0.01  -0.00  -0.00    -0.01  -0.01  -0.00     0.00  -0.00   0.00
    22   1    -0.02  -0.01   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   1     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.01   0.00   0.02    -0.01   0.01   0.00     0.00  -0.00   0.00
    25   1    -0.00   0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1    -0.00  -0.01   0.01    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    27   1     0.01  -0.01   0.00     0.01  -0.01  -0.01     0.00  -0.00   0.00
    28   1    -0.27   0.03  -0.03    -0.02   0.01  -0.00    -0.11   0.20  -0.06
    29   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00   0.01
    30   1    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.07   0.27   0.37
    31   1    -0.02  -0.02  -0.00     0.02  -0.00   0.00     0.02  -0.05   0.02
    32   1    -0.00   0.01  -0.02    -0.00   0.03   0.01     0.02  -0.03   0.02
    33   1     0.02   0.00   0.00     0.02   0.00  -0.00    -0.06  -0.07  -0.08
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3003.9853              3018.4685              3020.1949
 Red. masses --      1.0811                 1.0503                 1.0404
 Frc consts  --      5.7477                 5.6383                 5.5912
 IR Inten    --      3.0440                 8.8326                41.0008
 RamAct Fr= 1--    137.1422                13.1130                24.2894
  Dep-P Fr= 1--      0.1820                 0.6460                 0.3114
  Dep-U Fr= 1--      0.3080                 0.7849                 0.4749
 Alpha2 Fr= 1--      1.9525                 0.0246                 0.2407
 Beta2  Fr= 1--      7.0397                 1.7154                 1.9225
 AlphaG Fr= 1--     -0.9249                -0.1123                 0.2474
 Gamma2 Fr= 1--     -9.5055                 5.7178                -0.2090
 Delta2 Fr= 1--     -5.6322                 1.8799                 2.8446
 Raman1 Fr= 1--     548.569                 52.452                 97.158
 ROA1   Fr= 1--   -1092.759                609.062                 70.968
 CID1   Fr= 1--      -1.992                 11.612                  0.730
 Raman2 Fr= 1--      84.476                 20.585                 23.070
 ROA2   Fr= 1--    -183.074                122.188                -27.772
 CID2   Fr= 1--      -2.167                  5.936                 -1.204
 Raman3 Fr= 1--     168.953                 41.171                 46.141
 ROA3   Fr= 1--   -1092.759                609.062                 70.968
 CID3   Fr= 1--      -6.468                 14.794                  1.538
 RC180  Fr= 1--      -0.384                  0.570                 -0.050
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.01  -0.01   0.01    -0.03   0.04  -0.00     0.01  -0.02   0.00
     8   6    -0.03   0.03  -0.06    -0.00   0.00  -0.01    -0.00   0.00   0.00
     9   6     0.00  -0.00   0.01     0.03  -0.01   0.00     0.03  -0.01   0.00
    10   6     0.01  -0.00   0.01     0.00  -0.00   0.00    -0.01  -0.01  -0.03
    11   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    15   1     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.00  -0.00   0.00
    16   1    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1     0.00   0.00  -0.01    -0.00   0.00   0.01     0.00  -0.00  -0.00
    19   1    -0.00   0.01   0.02     0.12  -0.35  -0.42    -0.06   0.16   0.19
    20   1    -0.10   0.09  -0.21     0.21  -0.18   0.45    -0.10   0.09  -0.23
    21   1     0.39  -0.34   0.78     0.04  -0.04   0.08     0.00  -0.00   0.00
    22   1     0.00  -0.03  -0.03    -0.04   0.21   0.25    -0.03   0.19   0.22
    23   1    -0.06   0.05  -0.11    -0.19   0.16  -0.36    -0.17   0.14  -0.33
    24   1     0.01   0.03  -0.00    -0.12  -0.25   0.07    -0.12  -0.26   0.07
    25   1    -0.07   0.06  -0.16    -0.03   0.03  -0.06     0.22  -0.19   0.47
    26   1     0.00  -0.01   0.00     0.02  -0.01  -0.00    -0.29   0.05   0.03
    27   1     0.01   0.00  -0.00    -0.01  -0.02   0.01     0.16   0.31  -0.09
    28   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    33   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.7509              3047.3436              3056.3047
 Red. masses --      1.0439                 1.0356                 1.1034
 Frc consts  --      5.6349                 5.6659                 6.0725
 IR Inten    --     49.9365                25.4584                15.5849
 RamAct Fr= 1--    409.1528               217.0641                27.8850
  Dep-P Fr= 1--      0.0094                 0.0612                 0.7255
  Dep-U Fr= 1--      0.0185                 0.1153                 0.8409
 Alpha2 Fr= 1--      8.8956                 4.1748                 0.0118
 Beta2  Fr= 1--      1.2644                 4.1710                 3.9080
 AlphaG Fr= 1--      1.1761                -0.3411                 0.1509
 Gamma2 Fr= 1--      1.1367                 0.7480                 1.5275
 Delta2 Fr= 1--     -0.0971                 3.1766                -1.0032
 Raman1 Fr= 1--    1636.611                868.257                111.540
 ROA1   Fr= 1--     106.013                173.457                114.540
 CID1   Fr= 1--       0.065                  0.200                  1.027
 Raman2 Fr= 1--      15.172                 50.052                 46.896
 ROA2   Fr= 1--      28.057                 -7.462                 44.686
 CID2   Fr= 1--       1.849                 -0.149                  0.953
 Raman3 Fr= 1--      30.345                100.105                 93.792
 ROA3   Fr= 1--     106.013                173.457                114.540
 CID3   Fr= 1--       3.494                  1.733                  1.221
 RC180  Fr= 1--      -0.963                 -0.769                  0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     7   6    -0.02   0.03   0.00     0.00  -0.00   0.00    -0.01  -0.01  -0.09
     8   6    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
     9   6    -0.03   0.01   0.00     0.00  -0.00   0.00     0.00   0.00   0.02
    10   6    -0.01  -0.02  -0.03    -0.00  -0.00   0.00     0.00  -0.01   0.00
    11   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1    -0.01   0.00  -0.01     0.00  -0.00   0.00    -0.01   0.00  -0.01
    16   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.01  -0.00  -0.01
    19   1     0.08  -0.24  -0.28    -0.00   0.00   0.00    -0.15   0.43   0.49
    20   1     0.10  -0.10   0.23    -0.00   0.00  -0.00     0.28  -0.26   0.59
    21   1     0.08  -0.07   0.16    -0.00   0.00  -0.00     0.06  -0.05   0.12
    22   1     0.04  -0.20  -0.23    -0.00   0.00   0.00     0.01  -0.08  -0.09
    23   1     0.15  -0.12   0.28    -0.00   0.00  -0.00    -0.04   0.04  -0.08
    24   1     0.12   0.25  -0.07    -0.00  -0.00   0.00     0.02   0.04  -0.00
    25   1     0.20  -0.17   0.42    -0.00   0.00  -0.00    -0.02   0.01  -0.03
    26   1    -0.28   0.05   0.04     0.00  -0.00  -0.00    -0.05   0.01   0.01
    27   1     0.15   0.30  -0.09    -0.00  -0.00   0.00     0.04   0.07  -0.02
    28   1     0.00  -0.00  -0.00    -0.01   0.00   0.04     0.00  -0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.03  -0.04  -0.01    -0.00   0.00   0.00
    30   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1    -0.00   0.00   0.00    -0.09   0.01   0.45     0.00  -0.00  -0.00
    32   1     0.00  -0.00  -0.00     0.66  -0.06  -0.10     0.00  -0.00  -0.00
    33   1    -0.00   0.00  -0.00    -0.19   0.48  -0.25     0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.8342              3077.6546              3084.2027
 Red. masses --      1.0840                 1.0993                 1.0993
 Frc consts  --      6.0228                 6.1350                 6.1609
 IR Inten    --      6.7788                10.3502                56.1302
 RamAct Fr= 1--     65.2374                21.6752               108.7978
  Dep-P Fr= 1--      0.1890                 0.7356                 0.4558
  Dep-U Fr= 1--      0.3179                 0.8477                 0.6261
 Alpha2 Fr= 1--      0.9121                 0.0053                 0.6516
 Beta2  Fr= 1--      3.4563                 3.0623                11.3538
 AlphaG Fr= 1--      0.0022                 0.0219                 1.2082
 Gamma2 Fr= 1--     -0.9986                 9.5841                -5.4737
 Delta2 Fr= 1--     -3.1665                -3.5410                14.2055
 Raman1 Fr= 1--     260.950                 86.701                435.191
 ROA1   Fr= 1--    -197.191                806.762                -70.902
 CID1   Fr= 1--      -0.756                  9.305                 -0.163
 Raman2 Fr= 1--      41.475                 36.747                136.245
 ROA2   Fr= 1--       1.366                258.346               -245.014
 CID2   Fr= 1--       0.033                  7.030                 -1.798
 Raman3 Fr= 1--      82.950                 73.494                272.491
 ROA3   Fr= 1--    -197.191                806.762                -70.902
 CID3   Fr= 1--      -2.377                 10.977                 -0.260
 RC180  Fr= 1--      -0.364                  0.695                  0.252
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.01
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.01   0.02
     9   6    -0.00   0.00   0.00    -0.00   0.02  -0.07     0.01   0.01   0.06
    10   6     0.00   0.00  -0.00     0.01  -0.05   0.03     0.01  -0.05   0.04
    11   6     0.02  -0.00  -0.08     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.00   0.01
    16   1     0.01   0.00  -0.02     0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   1     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.01
    19   1     0.00  -0.00  -0.00    -0.01   0.02   0.02     0.02  -0.06  -0.07
    20   1     0.00  -0.00   0.00     0.01  -0.01   0.03    -0.04   0.05  -0.10
    21   1     0.00  -0.00   0.00     0.02  -0.01   0.03    -0.08   0.07  -0.17
    22   1     0.00  -0.00  -0.00    -0.05   0.25   0.27     0.07  -0.32  -0.36
    23   1    -0.00   0.00  -0.00     0.25  -0.20   0.44    -0.20   0.17  -0.35
    24   1     0.00   0.00  -0.00    -0.16  -0.31   0.07     0.04   0.08  -0.01
    25   1     0.00  -0.00   0.00    -0.16   0.12  -0.33    -0.18   0.14  -0.37
    26   1    -0.00   0.00   0.00    -0.17   0.02   0.04    -0.16   0.02   0.03
    27   1     0.00   0.00  -0.00     0.22   0.43  -0.11     0.24   0.46  -0.12
    28   1    -0.20   0.05   0.96    -0.00   0.00   0.00     0.00  -0.00  -0.00
    29   6    -0.01   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.03  -0.00  -0.16     0.00  -0.00  -0.00     0.00   0.00  -0.00
    32   1     0.04  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    33   1    -0.01   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3090.0228              3103.5788              3111.0113
 Red. masses --      1.1014                 1.1003                 1.1023
 Frc consts  --      6.1959                 6.2442                 6.2857
 IR Inten    --     42.0010                32.9279                27.0381
 RamAct Fr= 1--    113.2341                49.1297               100.5852
  Dep-P Fr= 1--      0.6600                 0.7039                 0.6860
  Dep-U Fr= 1--      0.7952                 0.8262                 0.8138
 Alpha2 Fr= 1--      0.1820                 0.0394                 0.1131
 Beta2  Fr= 1--     15.0064                 6.7655                13.6422
 AlphaG Fr= 1--      0.0425                 0.1536                 0.0800
 Gamma2 Fr= 1--     -5.5843                 8.9762                 0.7099
 Delta2 Fr= 1--    -10.0486                 0.9575                -3.8886
 Raman1 Fr= 1--     452.936                196.519                402.341
 ROA1   Fr= 1--    -857.650                892.354                -56.287
 CID1   Fr= 1--      -1.894                  4.541                 -0.140
 Raman2 Fr= 1--     180.077                 81.187                163.706
 ROA2   Fr= 1--     -53.635                207.769                 48.146
 CID2   Fr= 1--      -0.298                  2.559                  0.294
 Raman3 Fr= 1--     360.153                162.373                327.412
 ROA3   Fr= 1--    -857.650                892.354                -56.287
 CID3   Fr= 1--      -2.381                  5.496                 -0.172
 RC180  Fr= 1--       0.590                  0.652                  0.628
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     9   6    -0.02  -0.09  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   6     0.01  -0.01   0.01    -0.09  -0.01   0.01     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    19   1    -0.00   0.02   0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
    20   1    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.00
    21   1    -0.02   0.02  -0.04     0.01  -0.01   0.03    -0.00  -0.00  -0.00
    22   1    -0.08   0.36   0.44    -0.00   0.02   0.02     0.00  -0.00  -0.00
    23   1    -0.06   0.03  -0.10     0.00  -0.00   0.00     0.00   0.00   0.00
    24   1     0.35   0.67  -0.19     0.02   0.03  -0.01    -0.00  -0.00   0.00
    25   1    -0.05   0.04  -0.11     0.05  -0.06   0.15    -0.00   0.00  -0.00
    26   1    -0.09   0.01   0.02     0.85  -0.15  -0.13    -0.01   0.00   0.00
    27   1     0.06   0.13  -0.03     0.18   0.39  -0.11    -0.00  -0.00   0.00
    28   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.01  -0.00  -0.05
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.08   0.05   0.00
    30   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02   0.00  -0.20
    32   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.69  -0.05  -0.10
    33   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.21  -0.57   0.30
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.8835              3159.9802              3160.6451
 Red. masses --      1.1013                 1.0875                 1.0869
 Frc consts  --      6.3567                 6.3978                 6.3972
 IR Inten    --     12.8501                19.7361                 2.8607
 RamAct Fr= 1--     27.0223                11.1297                97.8208
  Dep-P Fr= 1--      0.6813                 0.1255                 0.6784
  Dep-U Fr= 1--      0.8105                 0.2231                 0.8084
 Alpha2 Fr= 1--      0.0327                 0.1830                 0.1237
 Beta2  Fr= 1--      3.6502                 0.4138                13.1792
 AlphaG Fr= 1--      0.0510                -0.0036                -0.1321
 Gamma2 Fr= 1--     -1.3163                -0.6902                 0.5265
 Delta2 Fr= 1--      1.9118                -0.5424                 1.9850
 Raman1 Fr= 1--     108.089                 44.519                391.283
 ROA1   Fr= 1--     -65.191                -83.620                114.060
 CID1   Fr= 1--      -0.603                 -1.878                  0.292
 Raman2 Fr= 1--      43.802                  4.965                158.151
 ROA2   Fr= 1--     -46.886                -12.227                 -3.245
 CID2   Fr= 1--      -1.070                 -2.462                 -0.021
 Raman3 Fr= 1--      87.604                  9.931                316.302
 ROA3   Fr= 1--     -65.191                -83.620                114.060
 CID3   Fr= 1--      -0.744                 -8.420                  0.361
 RC180  Fr= 1--       0.621                 -0.554                  0.617
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.02  -0.00   0.03    -0.03   0.01  -0.04
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.01   0.00  -0.03    -0.02  -0.00   0.04
     4   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.01  -0.00   0.02     0.01  -0.00   0.01
     6   6     0.00   0.00  -0.00     0.03   0.00  -0.06     0.02   0.00  -0.04
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1     0.00  -0.00   0.00    -0.22   0.04  -0.33     0.33  -0.06   0.48
    16   1     0.01   0.00  -0.02    -0.18  -0.01   0.40     0.23   0.01  -0.50
    17   1    -0.02   0.00  -0.03    -0.17   0.03  -0.25    -0.12   0.02  -0.17
    18   1    -0.00  -0.00   0.01    -0.31  -0.01   0.67    -0.23  -0.01   0.50
    19   1    -0.00   0.00   0.00    -0.00   0.01   0.01    -0.00   0.01   0.01
    20   1     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.01  -0.01   0.01
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00   0.01
    22   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    24   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    25   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    26   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    27   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    28   1    -0.03   0.01   0.15    -0.00   0.00   0.01     0.01  -0.00  -0.02
    29   6     0.02   0.03  -0.09    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   1    -0.15   0.04   0.84     0.00  -0.00  -0.01     0.00  -0.00  -0.02
    32   1    -0.19   0.02   0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    33   1     0.15  -0.38   0.18    -0.00   0.00  -0.00    -0.00   0.01  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3177.1302              3183.9010              3723.5246
 Red. masses --      1.0937                 1.0931                 1.0639
 Frc consts  --      6.5045                 6.5287                 8.6911
 IR Inten    --     17.6129                 2.6693                62.9282
 RamAct Fr= 1--    108.5967               123.2997               121.9280
  Dep-P Fr= 1--      0.1437                 0.1315                 0.2448
  Dep-U Fr= 1--      0.2512                 0.2325                 0.3933
 Alpha2 Fr= 1--      1.7059                 1.9967                 1.4664
 Beta2  Fr= 1--      4.5472                 4.7781                 7.9917
 AlphaG Fr= 1--      0.1768                -0.2542                -0.3750
 Gamma2 Fr= 1--      1.8222                 1.3619                -5.7514
 Delta2 Fr= 1--      0.9946                -0.1250                 0.0850
 Raman1 Fr= 1--     434.387                493.199                487.712
 ROA1   Fr= 1--     206.757                126.744               -549.415
 CID1   Fr= 1--       0.476                  0.257                 -1.127
 Raman2 Fr= 1--      54.567                 57.337                 95.901
 ROA2   Fr= 1--      35.776                 33.686               -138.714
 CID2   Fr= 1--       0.656                  0.588                 -1.446
 Raman3 Fr= 1--     109.134                114.675                191.802
 ROA3   Fr= 1--     206.757                126.744               -549.415
 CID3   Fr= 1--       1.895                  1.105                 -2.864
 RC180  Fr= 1--      -0.498                 -0.535                 -0.213
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.05     0.01  -0.00   0.01    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6     0.03   0.00  -0.06    -0.00  -0.00   0.01     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.01   0.00  -0.01    -0.05   0.01  -0.07     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.02   0.00  -0.03     0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    14   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.02  -0.05   0.03
    15   1     0.39  -0.07   0.57    -0.06   0.01  -0.09    -0.00   0.00  -0.00
    16   1    -0.29  -0.01   0.63     0.04   0.00  -0.09     0.00  -0.00  -0.00
    17   1     0.09  -0.02   0.13     0.51  -0.10   0.75     0.00  -0.00  -0.00
    18   1    -0.01  -0.00   0.01    -0.16  -0.01   0.33    -0.00   0.00   0.00
    19   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    20   1     0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    25   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    26   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    27   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    28   1    -0.01   0.00   0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.26   0.83  -0.48
    31   1    -0.00   0.00   0.01    -0.00   0.00   0.03    -0.00  -0.00  -0.00
    32   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    33   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1362.553526919.063437175.91763
           X            0.99985   0.01701  -0.00326
           Y           -0.01688   0.99917   0.03720
           Z            0.00389  -0.03714   0.99930
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06357     0.01252     0.01207
 Rotational constants (GHZ):           1.32453     0.26084     0.25150
 Zero-point vibrational energy     745966.3 (Joules/Mol)
                                  178.29022 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     36.55    51.65    67.17    76.62    91.91
          (Kelvin)            163.68   219.59   299.66   323.31   325.69
                              358.69   361.81   415.88   464.20   509.66
                              553.06   591.73   603.86   612.08   650.37
                              791.80   815.65   891.64   924.52   957.65
                             1037.11  1084.57  1160.47  1185.88  1204.84
                             1227.86  1235.91  1254.31  1291.70  1347.06
                             1372.91  1385.04  1398.74  1405.85  1459.27
                             1505.21  1559.96  1578.85  1591.60  1638.07
                             1652.04  1671.33  1717.71  1743.94  1759.46
                             1779.54  1794.96  1842.01  1883.51  1897.80
                             1941.98  1961.92  1974.71  1978.13  2003.40
                             2019.21  2037.15  2047.33  2100.72  2137.27
                             2144.27  2146.94  2154.64  2156.44  2164.23
                             2174.22  2232.50  2328.56  2385.96  2598.12
                             4322.06  4342.90  4345.39  4354.82  4384.45
                             4397.34  4418.25  4428.06  4437.48  4445.85
                             4465.36  4476.05  4503.20  4546.51  4547.46
                             4571.18  4580.92  5357.32
 
 Zero-point correction=                           0.284124 (Hartree/Particle)
 Thermal correction to Energy=                    0.299822
 Thermal correction to Enthalpy=                  0.300766
 Thermal correction to Gibbs Free Energy=         0.239372
 Sum of electronic and zero-point Energies=           -656.740271
 Sum of electronic and thermal Energies=              -656.724573
 Sum of electronic and thermal Enthalpies=            -656.723629
 Sum of electronic and thermal Free Energies=         -656.785023
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.141             58.748            129.213
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.581
 Vibrational            186.363             52.786             54.758
 Vibration     1          0.593              1.985              6.160
 Vibration     2          0.594              1.982              5.473
 Vibration     3          0.595              1.979              4.953
 Vibration     4          0.596              1.976              4.693
 Vibration     5          0.597              1.972              4.334
 Vibration     6          0.607              1.938              3.204
 Vibration     7          0.619              1.900              2.639
 Vibration     8          0.642              1.828              2.059
 Vibration     9          0.649              1.803              1.921
 Vibration    10          0.650              1.801              1.908
 Vibration    11          0.662              1.764              1.735
 Vibration    12          0.663              1.760              1.720
 Vibration    13          0.686              1.694              1.480
 Vibration    14          0.708              1.630              1.297
 Vibration    15          0.730              1.567              1.147
 Vibration    16          0.753              1.503              1.022
 Vibration    17          0.775              1.446              0.922
 Vibration    18          0.782              1.427              0.893
 Vibration    19          0.787              1.415              0.874
 Vibration    20          0.811              1.356              0.790
 Vibration    21          0.906              1.139              0.543
 Vibration    22          0.923              1.103              0.510
 Vibration    23          0.980              0.990              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.787862-110       -110.103550       -253.522793
 Total V=0       0.383789D+21         20.584093         47.396625
 Vib (Bot)       0.230037-124       -124.638203       -286.990067
 Vib (Bot)    1  0.815306D+01          0.911321          2.098394
 Vib (Bot)    2  0.576517D+01          0.760812          1.751835
 Vib (Bot)    3  0.442934D+01          0.646339          1.488250
 Vib (Bot)    4  0.388076D+01          0.588916          1.356030
 Vib (Bot)    5  0.323127D+01          0.509374          1.172877
 Vib (Bot)    6  0.179884D+01          0.254993          0.587144
 Vib (Bot)    7  0.132754D+01          0.123048          0.283328
 Vib (Bot)    8  0.954280D+00         -0.020324         -0.046798
 Vib (Bot)    9  0.878514D+00         -0.056251         -0.129523
 Vib (Bot)   10  0.871448D+00         -0.059759         -0.137599
 Vib (Bot)   11  0.783122D+00         -0.106171         -0.244467
 Vib (Bot)   12  0.775575D+00         -0.110376         -0.254150
 Vib (Bot)   13  0.661935D+00         -0.179185         -0.412588
 Vib (Bot)   14  0.581724D+00         -0.235283         -0.541759
 Vib (Bot)   15  0.519410D+00         -0.284490         -0.655062
 Vib (Bot)   16  0.468909D+00         -0.328911         -0.757346
 Vib (Bot)   17  0.429768D+00         -0.366766         -0.844510
 Vib (Bot)   18  0.418456D+00         -0.378350         -0.871183
 Vib (Bot)   19  0.411029D+00         -0.386128         -0.889092
 Vib (Bot)   20  0.378746D+00         -0.421652         -0.970889
 Vib (Bot)   21  0.285073D+00         -0.545044         -1.255011
 Vib (Bot)   22  0.272315D+00         -0.564929         -1.300797
 Vib (Bot)   23  0.236049D+00         -0.626999         -1.443718
 Vib (V=0)       0.112057D+07          6.049440         13.929351
 Vib (V=0)    1  0.866838D+01          0.937938          2.159682
 Vib (V=0)    2  0.628681D+01          0.798431          1.838454
 Vib (V=0)    3  0.495747D+01          0.695260          1.600895
 Vib (V=0)    4  0.441283D+01          0.644718          1.484517
 Vib (V=0)    5  0.376973D+01          0.576310          1.327004
 Vib (V=0)    6  0.236704D+01          0.374206          0.861640
 Vib (V=0)    7  0.191858D+01          0.282980          0.651585
 Vib (V=0)    8  0.157734D+01          0.197924          0.455737
 Vib (V=0)    9  0.151083D+01          0.179217          0.412662
 Vib (V=0)   10  0.150470D+01          0.177450          0.408593
 Vib (V=0)   11  0.142913D+01          0.155071          0.357065
 Vib (V=0)   12  0.142278D+01          0.153137          0.352610
 Vib (V=0)   13  0.132955D+01          0.123706          0.284843
 Vib (V=0)   14  0.126707D+01          0.102802          0.236711
 Vib (V=0)   15  0.122096D+01          0.086702          0.199639
 Vib (V=0)   16  0.118548D+01          0.073892          0.170144
 Vib (V=0)   17  0.115932D+01          0.064203          0.147832
 Vib (V=0)   18  0.115200D+01          0.061453          0.141501
 Vib (V=0)   19  0.114726D+01          0.059662          0.137376
 Vib (V=0)   20  0.112725D+01          0.052022          0.119785
 Vib (V=0)   21  0.107556D+01          0.031634          0.072839
 Vib (V=0)   22  0.106935D+01          0.029118          0.067048
 Vib (V=0)   23  0.105292D+01          0.022395          0.051566
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.294432D+07          6.468985         14.895388
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           8665554444444443333333222221111100009999988888887766655444433322222211     
     2        87663109877542210                           051510999986210977651084321964309841776539755320526426552218528542205165432
     4        47100140481677084                           688214982050363252409908732428967464723468293747416307025014439196583443765
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXX
     X             XXXX   XXX                             X  X           X            XX X X               X XXX                     
     X               XX    XX                             X              X            XX X X               X  XX                     
     X                X    X                              X                           X    X                  X                      
     X                                                    X                           X                       X                      
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000012700    0.000004108    0.000002110
      2        6           0.000003832   -0.000003949   -0.000007380
      3        6           0.000013699   -0.000002576    0.000000755
      4        6          -0.000020366   -0.000004231    0.000011014
      5        6          -0.000005743    0.000003624    0.000004170
      6        6           0.000006024   -0.000000305   -0.000001678
      7        6          -0.000024303    0.000024153   -0.000003980
      8        6           0.000004653   -0.000003215    0.000023074
      9        6          -0.000002592    0.000006428   -0.000003201
     10        6          -0.000001613   -0.000009465   -0.000016007
     11        6           0.000040442    0.000003018   -0.000008095
     12        6          -0.000008789    0.000014571   -0.000002467
     13        8           0.000003476   -0.000001409    0.000008463
     14        8           0.000001262   -0.000020050   -0.000011584
     15        1           0.000001000   -0.000002097   -0.000001753
     16        1          -0.000001688    0.000002540   -0.000001704
     17        1          -0.000001081    0.000001916   -0.000000008
     18        1          -0.000000212   -0.000002390    0.000002836
     19        1           0.000006289   -0.000006211    0.000000638
     20        1           0.000004256   -0.000012777    0.000001669
     21        1          -0.000001734    0.000001011   -0.000003171
     22        1          -0.000002522    0.000000341    0.000001864
     23        1           0.000003417   -0.000001134   -0.000001957
     24        1           0.000004705    0.000001067    0.000003888
     25        1           0.000000699    0.000001133   -0.000000059
     26        1          -0.000000260   -0.000002016    0.000000511
     27        1           0.000001306    0.000001178    0.000000453
     28        1          -0.000009673    0.000001666    0.000005288
     29        6           0.000008593   -0.000007335   -0.000006098
     30        1          -0.000001313    0.000004612   -0.000000603
     31        1          -0.000003081    0.000004579    0.000000327
     32        1          -0.000004225    0.000000154    0.000001640
     33        1          -0.000001758    0.000003064    0.000001044
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000040442 RMS     0.000008212
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.215790D+03 -0.843035D+00  0.605173D+00
      2  -0.843035D+00  0.132326D+03 -0.101837D+00
      3   0.605173D+00 -0.101837D+00  0.151693D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.697551D+01 -0.186216D+01  0.232403D+02
      2  -0.433425D+02  0.469557D+01  0.413903D+02
      3  -0.973456D+02 -0.334073D+02 -0.174613D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.231668D+03  0.369214D+02 -0.744709D+02
      2  -0.125425D+03 -0.784811D+01  0.333303D+02
      3  -0.106243D+03 -0.290733D+02  0.411406D+02
      4  -0.417728D+02  0.611083D+02  0.101749D+02
      5  -0.466855D+02  0.667685D+01  0.889222D+02
      6   0.680823D+01  0.113931D+02 -0.500153D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.108945D+02  0.585052D+00  0.193903D+00  0.152429D+01  0.211521D+01
      2   0.585052D+00  0.119714D+01 -0.909821D-01  0.211521D+01 -0.169811D+01
      3   0.193903D+00 -0.909821D-01  0.330328D+01  0.635453D+00  0.342338D+01
                 6             7             8             9            10 
      1   0.635453D+00  0.136017D+02  0.541180D+00 -0.116604D+01  0.299041D+02
      2   0.342338D+01  0.541180D+00  0.134259D+01  0.397696D+00  0.107206D+01
      3  -0.442666D+00 -0.116604D+01  0.397696D+00  0.239757D+00 -0.153724D+01
                11            12            13            14            15 
      1   0.107206D+01 -0.153724D+01 -0.173429D+01  0.490691D+01  0.563911D+00
      2   0.143698D+01 -0.251369D+00  0.490691D+01 -0.103154D+01 -0.234959D+00
      3  -0.251369D+00  0.316487D+01  0.563911D+00 -0.234959D+00 -0.682285D+00
                16            17            18            19            20 
      1  -0.340285D+01  0.417196D+00  0.552171D+00  0.130474D+02 -0.562595D+00
      2   0.417196D+00 -0.383447D+00 -0.746342D+00 -0.562595D+00 -0.130080D+01
      3   0.552171D+00 -0.746342D+00  0.852830D+00 -0.250714D+00  0.111985D+01
                21            22            23            24            25 
      1  -0.250714D+00 -0.804745D+00 -0.189782D+01  0.610948D+00  0.118532D+02
      2   0.111985D+01 -0.189782D+01 -0.379516D+00  0.358430D+01 -0.915828D+00
      3  -0.256948D+01  0.610948D+00  0.358430D+01  0.564572D+00  0.103422D+01
                26            27            28            29            30 
      1  -0.915828D+00  0.103422D+01 -0.273426D+02 -0.191176D+00  0.436970D+00
      2   0.197060D+01  0.237204D+00 -0.191176D+00 -0.133255D+01 -0.104739D+00
      3   0.237204D+00  0.904452D+00  0.436970D+00 -0.104739D+00 -0.261385D+01
                31            32            33            34            35 
      1   0.304757D+01 -0.535624D+01 -0.837765D-01  0.133145D+01 -0.137170D+00
      2  -0.535624D+01  0.557510D+00 -0.911651D-01 -0.137170D+00 -0.607777D+00
      3  -0.837765D-01 -0.911651D-01  0.167287D+00 -0.330197D+00 -0.471784D+00
                36            37            38            39            40 
      1  -0.330197D+00  0.881374D+01 -0.324028D+00 -0.375120D+00  0.178750D+00
      2  -0.471784D+00 -0.324028D+00 -0.111103D+01 -0.787890D+00 -0.171207D+01
      3   0.963491D+00 -0.375120D+00 -0.787890D+00 -0.248014D+01 -0.434998D+00
                41            42            43            44            45 
      1  -0.171207D+01 -0.434998D+00 -0.133631D+02  0.588600D+00  0.705759D-01
      2   0.754015D+00 -0.298706D+01  0.588600D+00 -0.144320D+01  0.144697D-01
      3  -0.298706D+01  0.324577D-01  0.705759D-01  0.144697D-01 -0.116811D+01
                46            47            48            49            50 
      1  -0.105327D+02  0.644345D-01  0.538925D+00  0.205628D+01  0.142556D+01
      2   0.644345D-01  0.951291D+00  0.448060D-01  0.142556D+01 -0.414727D+00
      3   0.538925D+00  0.448060D-01  0.122820D+01 -0.696394D+00 -0.343826D+01
                51            52            53            54            55 
      1  -0.696394D+00 -0.108560D+02 -0.271275D+00 -0.205166D+00 -0.138495D+02
      2  -0.343826D+01 -0.271275D+00 -0.158841D+01 -0.703329D-02 -0.210134D+01
      3  -0.805471D+00 -0.205166D+00 -0.703329D-02 -0.108505D+01  0.494952D+00
                56            57            58            59            60 
      1  -0.210134D+01  0.494952D+00 -0.731301D+01 -0.690691D+01  0.454669D+00
      2  -0.276395D+01  0.398515D+00 -0.690691D+01  0.534086D-01  0.148058D+01
      3   0.398515D+00 -0.198004D+01  0.454669D+00  0.148058D+01  0.298664D+01
                61            62            63            64            65 
      1   0.438921D+01  0.552948D+00 -0.380213D+01 -0.188353D+00  0.239423D+01
      2   0.552948D+00  0.192929D+01  0.378457D+01  0.239423D+01  0.332057D+01
      3  -0.380213D+01  0.378457D+01 -0.959440D+00  0.249066D+01 -0.852949D+00
                66            67            68            69            70 
      1   0.249066D+01  0.115047D+02  0.631789D+01 -0.180000D+01  0.569326D+00
      2  -0.852949D+00  0.631789D+01  0.110471D+01 -0.176375D+01 -0.115556D+01
      3   0.233604D+01 -0.180000D+01 -0.176375D+01 -0.325756D+01  0.339175D+01
                71            72            73            74            75 
      1  -0.115556D+01  0.339175D+01  0.450384D+01 -0.143685D+01 -0.233308D+01
      2  -0.210476D+01 -0.354473D+01 -0.143685D+01 -0.326251D+01  0.113417D+01
      3  -0.354473D+01  0.293640D+01 -0.233308D+01  0.113417D+01 -0.229025D+01
                76            77            78            79            80 
      1  -0.350029D+01 -0.522048D+01  0.146372D+01 -0.216218D+01  0.122355D+01
      2  -0.522048D+01 -0.209913D+01  0.293407D+01  0.122355D+01  0.267033D+01
      3   0.146372D+01  0.293407D+01  0.338429D+01 -0.350970D+01  0.360474D+01
                81            82            83            84            85 
      1  -0.350970D+01  0.544120D+01 -0.226716D+01 -0.174760D+01 -0.385905D+01
      2   0.360474D+01 -0.226716D+01 -0.308573D+01  0.768791D+00 -0.395332D+01
      3  -0.644635D-01 -0.174760D+01  0.768791D+00 -0.205390D+01  0.130842D+01
                86            87            88            89            90 
      1  -0.395332D+01  0.130842D+01 -0.162405D+01  0.113693D+01 -0.248142D+01
      2  -0.365125D+01  0.194471D+01  0.113693D+01  0.303011D+01  0.259880D+01
      3   0.194471D+01  0.279419D+01 -0.248142D+01  0.259880D+01 -0.292828D+01
                91            92            93            94            95 
      1   0.386569D+01  0.253758D+01 -0.319906D+00  0.336746D+00  0.616226D+01
      2   0.253758D+01  0.215237D+01  0.761404D+00  0.616226D+01 -0.198185D+01
      3  -0.319906D+00  0.761404D+00  0.102317D+01  0.542292D+00  0.140380D+01
                96            97            98            99           100 
      1   0.542292D+00  0.334100D+01  0.447008D+00  0.146722D+01  0.304115D+01
      2   0.140380D+01  0.447008D+00  0.305936D+01 -0.309663D+00 -0.127971D+01
      3  -0.260624D+00  0.146722D+01 -0.309663D+00 -0.471698D+01  0.212360D+01
               101           102           103           104           105 
      1  -0.127971D+01  0.212360D+01 -0.115127D+01 -0.139093D+01 -0.510900D+00
      2  -0.837603D-01 -0.681371D+00 -0.139093D+01  0.269001D+01 -0.169936D+01
      3  -0.681371D+00  0.897998D+00 -0.510900D+00 -0.169936D+01 -0.460411D+00
               106           107           108           109           110 
      1   0.309005D+01 -0.162605D+01  0.222180D+01 -0.497886D+01  0.971789D+00
      2  -0.162605D+01 -0.454341D-01 -0.140424D+01  0.971789D+00 -0.113074D+01
      3   0.222180D+01 -0.140424D+01  0.461901D+01 -0.387926D+01  0.465748D+00
               111           112           113           114           115 
      1  -0.387926D+01  0.822202D+00 -0.130750D+01  0.710527D+00 -0.834701D+01
      2   0.465748D+00 -0.130750D+01  0.497654D+00 -0.175391D+01  0.243433D+01
      3  -0.219306D+01  0.710527D+00 -0.175391D+01  0.985652D+00 -0.432173D+01
               116           117           118           119           120 
      1   0.243433D+01 -0.432173D+01  0.632542D+00  0.349026D+00  0.118211D+01
      2  -0.387459D+01  0.150026D+01  0.349026D+00  0.207018D+01 -0.195312D+00
      3   0.150026D+01 -0.927571D+01  0.118211D+01 -0.195312D+00  0.146760D+00
               121           122           123           124           125 
      1   0.115769D+01  0.148176D+01 -0.595561D+00  0.329483D+01 -0.197478D+01
      2   0.148176D+01 -0.326333D+01  0.291396D+01 -0.197478D+01  0.553858D+01
      3  -0.595561D+00  0.291396D+01  0.333317D+00 -0.446549D+00  0.178529D+01
               126           127           128           129           130 
      1  -0.446549D+00  0.324371D+01 -0.388674D+00  0.263231D+01 -0.105637D+01
      2   0.178529D+01 -0.388674D+00  0.469900D+00 -0.527594D+00  0.129210D+00
      3   0.310123D+01  0.263231D+01 -0.527594D+00  0.275967D+01 -0.485914D+00
               131           132           133           134           135 
      1   0.129210D+00 -0.485914D+00  0.283923D+01 -0.444733D+00  0.327243D+01
      2  -0.148473D+00  0.145433D+00 -0.444733D+00  0.943546D+00 -0.992343D+00
      3   0.145433D+00 -0.610604D+00  0.327243D+01 -0.992343D+00  0.650346D+01
               136           137           138           139           140 
      1  -0.218971D+01 -0.784501D-01  0.223389D+01  0.177428D+00  0.667682D-01
      2  -0.784501D-01 -0.201574D+00  0.540170D-01  0.667682D-01 -0.778214D-01
      3   0.223389D+01  0.540170D-01 -0.256181D+01 -0.860239D-01  0.356056D-01
               141           142           143           144           145 
      1  -0.860239D-01  0.220876D+01  0.240458D+00 -0.298320D+01 -0.372909D+01
      2   0.356056D-01  0.240458D+00  0.854718D+00 -0.529416D+00  0.556449D+00
      3  -0.269676D+00 -0.298320D+01 -0.529416D+00  0.829953D+01 -0.208297D+01
               146           147           148           149           150 
      1   0.556449D+00 -0.208297D+01  0.888130D+00 -0.156509D+00  0.428793D+00
      2  -0.518073D+00  0.224593D+00 -0.156509D+00  0.162270D+00 -0.120784D+00
      3   0.224593D+00 -0.193415D+01  0.428793D+00 -0.120784D+00  0.498849D+00
               151           152           153           154           155 
      1  -0.252580D+01  0.181888D+00 -0.276654D+01  0.226492D+01  0.527568D-01
      2   0.181888D+00 -0.796958D+00  0.391688D+00  0.527568D-01  0.235135D+00
      3  -0.276654D+01  0.391688D+00 -0.546299D+01 -0.211191D+01  0.169332D+00
               156           157           158           159           160 
      1  -0.211191D+01 -0.217981D+00 -0.496010D-01  0.102662D+00 -0.242625D+01
      2   0.169332D+00 -0.496010D-01 -0.598670D-01 -0.802102D-01 -0.104072D+00
      3   0.228645D+01  0.102662D+00 -0.802102D-01  0.186026D+00  0.295120D+01
               161           162           163           164           165 
      1  -0.104072D+00  0.295120D+01  0.247925D+01 -0.108456D+01 -0.134373D+01
      2  -0.796859D+00 -0.142749D+00 -0.108456D+01  0.133165D+01  0.506488D+00
      3  -0.142749D+00 -0.766587D+01 -0.134373D+01  0.506488D+00  0.737163D+00
               166           167           168           169           170 
      1  -0.156645D+01  0.233976D+01  0.910470D+00 -0.584568D+01  0.907643D+00
      2   0.233976D+01 -0.406725D+01 -0.225731D+01  0.907643D+00 -0.317130D+01
      3   0.910470D+00 -0.225731D+01 -0.186642D+01  0.233140D+01 -0.253021D+01
               171           172           173           174           175 
      1   0.233140D+01  0.254083D+01 -0.839071D+00  0.162757D+01 -0.204094D+00
      2  -0.253021D+01 -0.839071D+00  0.148044D+01 -0.689296D+00  0.161192D+01
      3  -0.291269D+01  0.162757D+01 -0.689296D+00  0.128861D+01 -0.574180D+00
               176           177           178           179           180 
      1   0.161192D+01 -0.574180D+00  0.439063D+01 -0.801836D+00  0.191481D+01
      2  -0.180035D+01  0.107315D+01 -0.801836D+00  0.202864D+01 -0.203897D+01
      3   0.107315D+01 -0.119235D+01  0.191481D+01 -0.203897D+01  0.345239D+01
               181           182           183           184           185 
      1  -0.181305D+01 -0.990116D-01 -0.160734D+01 -0.455067D+00 -0.956127D+00
      2  -0.990116D-01 -0.122048D+01  0.458189D+00 -0.956127D+00  0.138235D+01
      3  -0.160734D+01  0.458189D+00 -0.143477D+01  0.254972D+00 -0.105558D+01
               186           187           188           189           190 
      1   0.254972D+00 -0.272072D+01  0.153227D+00 -0.976127D+00  0.756049D+00
      2  -0.105558D+01  0.153227D+00 -0.138346D+01  0.176621D+01 -0.886350D+00
      3   0.192574D+01 -0.976127D+00  0.176621D+01 -0.517220D+01 -0.956949D+00
               191           192           193           194           195 
      1  -0.886350D+00 -0.956949D+00 -0.232650D+01  0.183082D+01  0.129748D+01
      2   0.746102D+00  0.398707D+00  0.183082D+01 -0.283717D+01 -0.241804D+01
      3   0.398707D+00  0.103037D+01  0.129748D+01 -0.241804D+01 -0.287260D+01
               196           197           198           199           200 
      1  -0.262734D+01  0.955685D+00  0.255805D+01  0.344568D+01 -0.805596D+00
      2   0.955685D+00 -0.257117D+01 -0.255557D+01 -0.805596D+00  0.108675D+01
      3   0.255805D+01 -0.255557D+01 -0.462189D+01  0.182767D+01 -0.588396D+00
               201           202           203           204           205 
      1   0.182767D+01 -0.172316D+01  0.164328D+01 -0.784839D+00  0.474048D+01
      2  -0.588396D+00  0.164328D+01 -0.110246D+01  0.635824D+00 -0.102107D+01
      3   0.165025D+01 -0.784839D+00  0.635824D+00 -0.140052D+01  0.254729D+01
               206           207           208           209           210 
      1  -0.102107D+01  0.254729D+01  0.403942D+01  0.262114D+01 -0.902258D+00
      2   0.129188D+01 -0.132463D+01  0.262114D+01  0.229945D+01 -0.760869D+00
      3  -0.132463D+01  0.355491D+01 -0.902258D+00 -0.760869D+00  0.943567D+00
               211           212           213           214           215 
      1   0.596386D+01  0.415922D+01 -0.159229D+01 -0.127003D+01 -0.959442D+00
      2   0.415922D+01  0.527581D+01 -0.152442D+01 -0.959442D+00 -0.130498D+01
      3  -0.159229D+01 -0.152442D+01  0.124649D+01  0.164061D+01  0.731251D+00
               216           217           218           219           220 
      1   0.164061D+01  0.136097D+01  0.173805D+00  0.172610D+01 -0.638394D+00
      2   0.731251D+00  0.173805D+00  0.102288D+01  0.170253D-01  0.599138D+00
      3  -0.109922D+01  0.172610D+01  0.170253D-01  0.227258D+01 -0.572949D+00
               221           222           223           224           225 
      1   0.599138D+00 -0.572949D+00  0.233880D+01  0.478936D-01  0.216963D+01
      2  -0.362182D+00  0.547274D+00  0.478936D-01  0.114115D+01 -0.172709D+00
      3   0.547274D+00 -0.172204D+01  0.216963D+01 -0.172709D+00  0.608281D+01
               226           227           228           229           230 
      1  -0.822796D+01  0.517530D+00  0.105038D+01  0.385772D+00 -0.109948D+01
      2   0.517530D+00 -0.202634D+01 -0.804090D+00 -0.109948D+01  0.119807D+01
      3   0.105038D+01 -0.804090D+00 -0.105937D+01 -0.495515D+00  0.101680D+00
               231           232           233           234           235 
      1  -0.495515D+00  0.110978D+01 -0.360713D+00 -0.528583D+00  0.215894D+01
      2   0.101680D+00 -0.360713D+00 -0.196776D-01  0.179215D+00  0.260166D+01
      3   0.990655D-01 -0.528583D+00  0.179215D+00  0.939837D+00  0.104187D+00
               236           237           238           239           240 
      1   0.260166D+01  0.104187D+00  0.287687D+01  0.373994D+01 -0.930119D-01
      2   0.317519D+01  0.678655D-01  0.373994D+01  0.836220D+01 -0.131988D+00
      3   0.678655D-01  0.787267D+00 -0.930119D-01 -0.131988D+00  0.812360D+00
               241           242           243           244           245 
      1  -0.860258D+00 -0.711452D+00  0.804821D+00  0.209278D+00 -0.423121D+00
      2  -0.711452D+00 -0.166715D+01  0.662686D+00 -0.423121D+00 -0.535961D+00
      3   0.804821D+00  0.662686D+00 -0.240124D+00  0.163430D+01 -0.109612D+00
               246           247           248           249           250 
      1   0.163430D+01 -0.439213D+00 -0.972495D+00 -0.100406D+00  0.293179D+01
      2  -0.109612D+00 -0.972495D+00  0.288626D+00  0.766182D+00 -0.532200D-01
      3  -0.118572D+01 -0.100406D+00  0.766182D+00  0.571969D-01 -0.198756D+01
               251           252           253           254           255 
      1  -0.532200D-01 -0.198756D+01  0.789418D+01 -0.759397D+00 -0.123649D+01
      2   0.123926D+01  0.505160D-01 -0.759397D+00 -0.350213D+01 -0.356934D-01
      3   0.505160D-01  0.625010D+01 -0.123649D+01 -0.356934D-01 -0.105345D+01
               256           257           258           259           260 
      1  -0.577951D+01 -0.419503D+01 -0.588445D+00 -0.418710D+01 -0.788582D+00
      2  -0.419503D+01  0.158125D+01 -0.247545D+01 -0.788582D+00 -0.339571D+01
      3  -0.588445D+00 -0.247545D+01  0.495590D+00 -0.125507D+01  0.113761D+01
               261           262           263           264           265 
      1  -0.125507D+01 -0.102415D+01  0.153801D+01  0.632643D-01  0.154489D+01
      2   0.113761D+01  0.153801D+01 -0.207802D+01  0.368449D-01 -0.267651D+01
      3   0.386352D+01  0.632643D-01  0.368449D-01 -0.291556D+00  0.162315D+00
               266           267           268           269           270 
      1  -0.267651D+01  0.162315D+00 -0.718365D+00  0.128670D+01 -0.426436D+00
      2   0.891050D+01 -0.319168D+00  0.128670D+01 -0.366029D+01  0.110084D+01
      3  -0.319168D+00  0.124032D+01 -0.426436D+00  0.110084D+01 -0.328955D+00
               271           272           273           274           275 
      1  -0.186885D+00  0.130612D+00 -0.600528D+00  0.562093D+00  0.277046D+00
      2   0.130612D+00  0.640308D+00  0.170279D+00  0.277046D+00 -0.541516D+00
      3  -0.600528D+00  0.170279D+00  0.381726D+00 -0.473707D-01 -0.578605D+00
               276           277           278           279           280 
      1  -0.473707D-01 -0.216485D+01 -0.560209D+00 -0.553230D+00 -0.147173D+02
      2  -0.578605D+00 -0.560209D+00 -0.178860D+01 -0.141616D+01 -0.197373D+01
      3  -0.735178D+00 -0.553230D+00 -0.141616D+01 -0.568366D+01  0.421678D+00
               281           282           283           284           285 
      1  -0.197373D+01  0.421678D+00  0.902215D+00 -0.904864D+00  0.804378D-01
      2  -0.155300D+01 -0.571783D-01 -0.904864D+00 -0.164207D+00  0.300609D+00
      3  -0.571783D-01 -0.997859D+00  0.804378D-01  0.300609D+00  0.834744D-01
               286           287           288           289           290 
      1   0.167467D+01  0.376756D+00 -0.122429D+01  0.317683D-01 -0.665319D+00
      2   0.376756D+00  0.615236D+00 -0.268123D+00 -0.665319D+00  0.209031D+01
      3  -0.122429D+01 -0.268123D+00 -0.137233D-01  0.502636D+00 -0.259279D+00
               291           292           293           294           295 
      1   0.502636D+00 -0.116011D+01 -0.508224D-01  0.155030D-01  0.139665D+01
      2  -0.259279D+00 -0.508224D-01 -0.713763D+01  0.163948D+01  0.393995D+00
      3   0.461418D+00  0.155030D-01  0.163948D+01 -0.131511D+01  0.360031D-01
               296           297 
      1   0.393995D+00  0.360031D-01
      2   0.294850D+01 -0.148835D+01
      3  -0.148835D+01  0.835623D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.261123D+01  0.190540D+01  0.223147D+01  0.922659D+01  0.151280D+01
      2   0.630433D+01 -0.135506D+01  0.335043D+01 -0.203619D+01 -0.653788D+00
      3   0.136860D+02 -0.174914D+01 -0.728168D+00  0.104862D+02 -0.299997D+00
                 6             7             8             9            10 
      1  -0.214102D+01 -0.659294D+00  0.246090D+01  0.379591D+00 -0.412822D+01
      2  -0.244391D+00 -0.855944D+01  0.511666D+00 -0.735834D+00 -0.150930D+02
      3  -0.535470D+01 -0.130659D+02 -0.188614D+01  0.551960D+00 -0.285861D+02
                11            12            13            14            15 
      1  -0.614780D+00  0.154986D+01  0.168971D+01  0.470903D+00 -0.101987D+02
      2  -0.131457D+00 -0.314838D+01  0.240524D+01 -0.219401D+01  0.114079D-01
      3  -0.129542D+00  0.769456D+00  0.100398D+02 -0.169934D+01  0.286544D+00
                16            17            18            19            20 
      1  -0.348856D+01 -0.258501D+01 -0.701445D+00 -0.285840D+01 -0.832804D+00
      2  -0.248227D+02 -0.286184D+01 -0.336515D+01 -0.770731D+01  0.164944D+00
      3   0.247768D+01  0.420901D+00  0.286702D+00 -0.121857D+02  0.354428D+00
                21            22            23            24            25 
      1  -0.120883D+01 -0.584608D+01  0.271302D+01  0.852373D+00 -0.404100D+00
      2   0.792170D+01 -0.171129D+01  0.514546D+00 -0.125614D+01 -0.102926D+02
      3  -0.576562D-01  0.119245D+02  0.844508D+00  0.379474D+01 -0.112021D+02
                26            27            28            29            30 
      1   0.329238D+01  0.107965D+01  0.174007D+01 -0.139241D+00 -0.267381D+01
      2   0.597541D+00  0.216041D+01  0.111906D+02  0.105885D+01 -0.401308D+01
      3   0.370090D+01 -0.129377D+01  0.240283D+02  0.300783D-01 -0.104528D+01
                31            32            33            34            35 
      1  -0.336764D+01  0.132663D+01 -0.102520D+02 -0.434330D+01 -0.198437D+01
      2  -0.315794D+00  0.322413D+01  0.130826D+01 -0.268111D+02  0.119686D+01
      3   0.590763D+01  0.395393D+01 -0.578444D+00 -0.593026D+00 -0.371480D+01
                36            37            38            39            40 
      1  -0.128718D+00 -0.116532D+01  0.684266D+00 -0.134866D+01  0.734719D+01
      2  -0.487662D+00 -0.968575D+01 -0.142138D+01  0.538306D+01 -0.872876D+00
      3   0.312404D+01 -0.910937D+01 -0.656807D+00  0.158211D+01  0.134546D+02
                41            42            43            44            45 
      1  -0.255889D+01 -0.303440D+01  0.288598D+01  0.160169D+01 -0.124855D+01
      2  -0.190884D+01  0.159005D+00  0.492505D+01  0.312967D+00 -0.385949D+01
      3   0.399734D+00 -0.378197D+01  0.131066D+02 -0.180585D+01 -0.160470D+01
                46            47            48            49            50 
      1   0.285530D+01 -0.117034D+01  0.168210D+01 -0.713395D+01 -0.192992D+01
      2   0.112601D+02  0.241032D+00  0.105660D+02 -0.120620D+01  0.102453D+01
      3   0.142759D+02 -0.830316D+00  0.691611D+00  0.121289D+02 -0.955976D+00
                51            52            53            54            55 
      1  -0.205002D+01  0.143603D+01  0.233767D+01 -0.478032D+00  0.316807D+01
      2  -0.199739D+01  0.344624D+01 -0.573313D-01  0.578721D+01  0.258995D+01
      3   0.371093D+01  0.116786D+02  0.975216D+00  0.781040D+00  0.151191D+02
                56            57            58            59            60 
      1   0.170511D+01 -0.114509D+01  0.486017D+01  0.395069D+01  0.164858D+01
      2   0.428311D+00 -0.348999D+01  0.125385D+01  0.558025D+01  0.132485D+02
      3   0.660454D+01 -0.105319D+01  0.356376D+02  0.734595D+01 -0.484027D+01
                61            62            63            64            65 
      1  -0.164805D+01  0.627673D+01 -0.168216D+01 -0.431179D+01 -0.111362D+01
      2  -0.221497D+02  0.137597D+02 -0.580863D+01  0.758151D+01 -0.267741D+01
      3  -0.705019D+01 -0.598906D+01 -0.899925D+01 -0.163553D+02 -0.175188D+02
                66            67            68            69            70 
      1  -0.148962D+01 -0.242141D+01 -0.834313D+00 -0.464570D-01  0.182051D+01
      2   0.140808D+02 -0.708422D+01 -0.582956D+01 -0.161890D+02  0.105753D+02
      3   0.476813D+01 -0.269099D+02 -0.528589D+01  0.536098D+01  0.920243D+01
                71            72            73            74            75 
      1   0.693579D+01 -0.516399D+00  0.164557D+01  0.197204D+01 -0.380092D+00
      2  -0.154531D+02  0.154064D+02 -0.856014D+01  0.515552D+01 -0.132811D+02
      3   0.771674D+01  0.150217D+02  0.848812D+01  0.164134D+02 -0.664732D+01
                76            77            78            79            80 
      1   0.359298D+01  0.868987D+00 -0.488450D+01 -0.139305D+00 -0.146481D+01
      2   0.610418D+01  0.128557D+02  0.212665D+02 -0.263309D+02  0.210817D+02
      3   0.336025D+02  0.105621D+02 -0.166259D+02 -0.667628D+01 -0.146993D+02
                81            82            83            84            85 
      1  -0.229962D+01  0.286497D+01 -0.422216D+01  0.460808D+01 -0.585437D+01
      2  -0.161867D+01 -0.133286D+02  0.610182D+01 -0.272204D+01  0.810618D+01
      3  -0.203749D+02  0.205911D+02  0.468165D+01 -0.714436D+01  0.124194D+02
                86            87            88            89            90 
      1  -0.938306D+01 -0.654459D+01  0.580741D+01 -0.696108D+00  0.837955D+01
      2   0.984551D+01  0.903033D+01 -0.833321D+01  0.830180D+01 -0.956467D+01
      3   0.736867D+01 -0.546759D+01 -0.843051D+01 -0.893150D+01 -0.124912D+02
                91            92            93            94            95 
      1   0.650436D+00  0.723385D+00  0.180966D+01  0.173832D+01 -0.823647D+00
      2  -0.396097D+01 -0.328936D+01  0.860899D+00  0.749601D+00 -0.872982D+01
      3   0.994386D-01  0.138471D+01  0.256568D+01  0.319498D+02 -0.103235D+02
                96            97            98            99           100 
      1  -0.322991D+01  0.234045D+01  0.456683D+01 -0.176468D+01 -0.945598D+00
      2   0.416299D+00 -0.156724D+02  0.169904D+01  0.166094D+02  0.484108D+01
      3   0.514581D+01 -0.254903D+01  0.934950D+01 -0.239357D+01  0.104162D+02
               101           102           103           104           105 
      1  -0.595326D+01 -0.326328D+01 -0.190542D+01  0.544286D-01  0.959727D+00
      2   0.454831D+00  0.376517D+01 -0.195257D+01  0.764806D+01  0.625296D+01
      3  -0.141845D+02 -0.166476D+01 -0.887591D+01  0.331573D+01 -0.302335D+01
               106           107           108           109           110 
      1  -0.619708D+01 -0.120493D+01 -0.424295D+01  0.404784D+01  0.367765D+01
      2  -0.600001D+01  0.579863D+01 -0.239075D+02  0.858510D+01 -0.120548D+01
      3  -0.628319D+01  0.770476D+01 -0.364247D+01 -0.312505D+01 -0.398984D+01
               111           112           113           114           115 
      1   0.277340D+01  0.780418D+00  0.545452D+00 -0.320621D+01  0.345393D+01
      2   0.887971D+01  0.307257D+00  0.594496D+01 -0.522242D+01  0.705815D+01
      3  -0.848864D+00 -0.982763D+00  0.322391D+01 -0.637793D+01  0.101417D+02
               116           117           118           119           120 
      1   0.869482D+01  0.109329D+02 -0.328601D+01  0.220077D+01 -0.472636D+00
      2  -0.426164D+01  0.363413D+02 -0.543090D+01  0.136347D+01  0.962131D+00
      3  -0.179418D+02  0.405556D+01  0.284636D+00  0.709241D+01  0.166080D+01
               121           122           123           124           125 
      1   0.250247D+00 -0.420800D+01 -0.377728D+01 -0.213239D+01  0.612385D+01
      2  -0.600570D+00 -0.102760D+02 -0.196196D+01 -0.206043D+01 -0.505303D+01
      3   0.732245D+01 -0.682950D+01  0.913737D+01 -0.364523D+01  0.164855D+02
               126           127           128           129           130 
      1  -0.809223D+01  0.206964D+01  0.200701D+01  0.189751D+01 -0.954359D+00
      2  -0.104635D+02 -0.572456D+01 -0.138238D+00 -0.946413D+00  0.145142D+01
      3   0.608871D+01 -0.305316D+01 -0.138026D+01 -0.176939D+01  0.235083D+01
               131           132           133           134           135 
      1  -0.572654D-01 -0.205423D+01  0.257320D+01  0.291213D+01  0.468757D+01
      2  -0.757643D-01 -0.114484D+00 -0.405726D+01 -0.153725D+00  0.145285D+01
      3   0.213578D+00  0.420422D+00 -0.264863D+01 -0.194186D+01 -0.190123D+01
               136           137           138           139           140 
      1   0.170925D+01 -0.168207D+01 -0.200564D+01  0.519589D+00  0.275569D-01
      2   0.470909D+01  0.314934D-01 -0.137858D+01 -0.429265D+00 -0.111212D+00
      3   0.152900D+01 -0.701819D+00 -0.159130D+01  0.989737D+00 -0.437475D-01
               141           142           143           144           145 
      1  -0.207752D+01 -0.186090D+01  0.380775D+01  0.513136D+01 -0.253170D+01
      2   0.346294D+00 -0.477941D+01 -0.159147D+00 -0.928281D+00 -0.783467D+01
      3  -0.165407D+00 -0.142447D+01  0.162515D+01  0.184745D+01  0.254239D+01
               146           147           148           149           150 
      1   0.264489D+01 -0.143229D+01  0.413763D+00 -0.420958D+00 -0.109744D+01
      2   0.123663D+01 -0.132648D+01  0.114652D+01 -0.147566D+00  0.297618D+00
      3  -0.150605D+01  0.137859D+01  0.413926D+00  0.429011D+00 -0.133137D+00
               151           152           153           154           155 
      1  -0.183470D+01  0.341765D+01 -0.334405D+01 -0.195702D+01 -0.158545D+01
      2  -0.391416D+01  0.122240D+00  0.130619D+01  0.469088D+01  0.434937D+00
      3   0.151062D+01 -0.220344D+01  0.192024D+01 -0.139589D+01 -0.780640D+00
               156           157           158           159           160 
      1   0.131751D+01  0.300355D+00 -0.111219D+00 -0.184668D+01  0.259763D+01
      2  -0.880016D+00 -0.165188D+00 -0.279302D+00  0.427810D-01 -0.436794D+01
      3   0.120752D+01  0.143130D+01  0.210168D+00 -0.152847D+00  0.190815D+01
               161           162           163           164           165 
      1   0.376902D+01 -0.518460D+01 -0.960086D+00 -0.117849D+00  0.134166D+01
      2  -0.357350D+00 -0.228736D+01 -0.487035D+01  0.142623D+01  0.412568D+01
      3   0.184133D+01 -0.171937D+01 -0.230343D+00 -0.419406D+01 -0.593650D-01
               166           167           168           169           170 
      1   0.503976D+00 -0.116683D+01 -0.343440D+01  0.257457D+01 -0.820438D+00
      2   0.222518D+01 -0.793261D+01 -0.710927D+01  0.574698D+01 -0.931284D+01
      3  -0.319426D+01  0.102231D+02  0.529443D+01  0.394196D+01  0.937566D+01
               171           172           173           174           175 
      1  -0.373415D+01  0.168587D+01 -0.201401D+00  0.188683D+01 -0.124779D+01
      2  -0.941663D+01  0.598972D+01 -0.247616D+01  0.610751D+01 -0.156786D+01
      3   0.516536D+01 -0.417793D+00 -0.510018D+01  0.637260D+00 -0.245908D+01
               176           177           178           179           180 
      1   0.824402D+00 -0.301947D+01  0.193201D+01 -0.423375D+00  0.494709D+01
      2   0.319502D+01 -0.467210D+01  0.278116D+01 -0.730575D+01  0.127881D+02
      3   0.399568D+01 -0.222243D+01 -0.271711D+01 -0.620161D+01  0.408027D+01
               181           182           183           184           185 
      1   0.248346D+01  0.147815D+01  0.137462D+01  0.591205D+00 -0.562063D+00
      2  -0.102721D+02  0.158204D+01 -0.647098D+01  0.111059D+01 -0.486624D+01
      3  -0.225176D+01  0.367697D+01 -0.278084D+01  0.574090D+01 -0.539437D+01
               186           187           188           189           190 
      1  -0.192128D+01  0.149970D+01  0.177590D+01  0.295501D+01  0.116577D+01
      2   0.714432D+01 -0.970489D+01  0.671453D+01 -0.208330D+02 -0.478847D+01
      3   0.428953D+01 -0.301885D+01  0.491735D+01 -0.818561D+01  0.474014D+01
               191           192           193           194           195 
      1  -0.935893D+00 -0.298113D+00 -0.144269D+01  0.381127D+01  0.998930D+00
      2   0.156772D+01  0.564076D+01  0.378388D+01 -0.117806D+02 -0.155908D+02
      3  -0.500342D+01 -0.255877D+01 -0.751691D+01  0.158290D+02  0.128692D+02
               196           197           198           199           200 
      1  -0.108610D+01  0.466597D+01  0.211348D+01  0.124697D+00 -0.284678D-01
      2   0.920416D+01 -0.135484D+02 -0.233940D+02  0.121051D+02 -0.393927D+01
      3  -0.427996D+01  0.146529D+02  0.139001D+02  0.476889D+01 -0.731679D+01
               201           202           203           204           205 
      1   0.491137D+00 -0.669001D+00 -0.540833D-01 -0.114584D+01 -0.222350D-01
      2   0.119304D+02 -0.494063D+01  0.449943D+01 -0.914297D+01  0.141310D+02
      3   0.355046D+01 -0.730109D+01  0.646434D+01 -0.344377D+01  0.548291D+01
               206           207           208           209           210 
      1   0.146532D+01  0.678714D+00 -0.184940D+01 -0.188770D+01 -0.526603D+00
      2  -0.813094D+01  0.225736D+02 -0.170235D+01 -0.224203D+01  0.638187D+01
      3  -0.822975D+01  0.760219D+01 -0.123818D+02 -0.139057D+02  0.410051D+01
               211           212           213           214           215 
      1  -0.226244D+01 -0.426818D+01 -0.140436D+01 -0.400872D-02  0.171781D+01
      2  -0.408336D+01 -0.548476D+01  0.683129D+01  0.680305D+01  0.300337D+01
      3  -0.184138D+02 -0.292301D+02  0.782161D+01  0.467088D+01  0.738235D+01
               216           217           218           219           220 
      1   0.337422D+00 -0.331758D+01  0.177962D+01 -0.415827D+01  0.138964D+01
      2  -0.488697D+01  0.472672D+01  0.246227D+00  0.775653D+01 -0.484566D+00
      3  -0.335841D+01  0.535803D+00 -0.462925D+01  0.209295D+01 -0.184800D+01
               221           222           223           224           225 
      1  -0.215546D+01  0.271582D+01 -0.397600D+01  0.447172D+01 -0.116117D+02
      2   0.145967D+01 -0.657161D+01  0.236999D+01 -0.745017D+00  0.202900D+02
      3   0.274339D+01 -0.242585D+01  0.308681D+01 -0.505904D+01  0.327565D+01
               226           227           228           229           230 
      1  -0.331049D+01 -0.984374D+00  0.233021D+01 -0.370941D+00  0.446591D+00
      2   0.139436D+02 -0.281610D+01 -0.332999D+01 -0.187740D+01  0.154750D+01
      3  -0.209027D+02  0.579423D+01  0.486380D+01  0.614929D+01 -0.493210D+01
               231           232           233           234           235 
      1  -0.430913D+00  0.244008D+01  0.144203D+01 -0.153668D+01  0.172303D+01
      2  -0.420349D-01 -0.583852D+01  0.372867D+00  0.311736D+01 -0.113593D+01
      3  -0.117976D+01  0.386474D+01 -0.130150D+00 -0.186283D+01 -0.566482D+01
               236           237           238           239           240 
      1   0.276704D+01 -0.283620D+01  0.411104D+01  0.720682D+01 -0.436631D+01
      2  -0.154985D+01  0.397005D+01 -0.300225D+01 -0.344480D+01  0.407292D+01
      3  -0.922938D+01 -0.264687D+00 -0.545417D+01 -0.257731D+02  0.612910D-02
               241           242           243           244           245 
      1  -0.201516D+01 -0.133501D+01  0.139288D+01  0.394946D+00 -0.606132D+00
      2   0.247846D+01  0.259319D+01 -0.123037D+01 -0.644115D+01  0.546455D+00
      3   0.127206D+01  0.549357D+01 -0.113239D+01 -0.967359D+00 -0.223741D+01
               246           247           248           249           250 
      1  -0.706601D+00 -0.402561D+00  0.782344D+00 -0.304557D+00 -0.118115D+01
      2   0.370860D+01  0.315855D+00 -0.157044D+01 -0.145172D+00  0.110119D+01
      3  -0.105362D+01 -0.135665D+01  0.108033D+01  0.213634D+01 -0.120417D+01
               251           252           253           254           255 
      1   0.327913D+01  0.240995D+01 -0.157128D+01  0.527634D+00 -0.282381D+01
      2  -0.272841D+00 -0.195817D+02  0.887393D+01  0.117471D+01  0.699225D+01
      3   0.352643D+01  0.164775D+01 -0.186029D+02 -0.152763D+02  0.184749D+01
               256           257           258           259           260 
      1  -0.134039D+01 -0.588787D+01  0.583207D+00 -0.709705D+00  0.549608D+01
      2   0.404803D+01  0.103225D+02 -0.338864D+01  0.459482D+01 -0.505845D+01
      3  -0.820223D+01  0.129638D+02 -0.922975D+01  0.116009D+01 -0.115868D+02
               261           262           263           264           265 
      1   0.808731D+01  0.857457D+00 -0.117419D+01  0.985131D+00 -0.232156D+01
      2  -0.180801D+02  0.202414D+00 -0.767610D+00  0.895521D+00 -0.983495D+00
      3   0.590329D+01  0.316197D+01 -0.487727D+01 -0.621834D+00 -0.403949D+01
               266           267           268           269           270 
      1   0.687937D+01 -0.389826D+01  0.110402D+01 -0.284622D+01  0.233738D+01
      2   0.253799D+01 -0.439308D+01  0.100636D+01 -0.395454D+01  0.159731D+01
      3   0.267844D+02 -0.745645D+00  0.258992D+01 -0.115717D+02  0.331459D+01
               271           272           273           274           275 
      1  -0.179751D+01 -0.484269D+00  0.933563D+00 -0.240338D+00 -0.150598D+01
      2   0.482630D+01 -0.314101D+00 -0.211126D+01  0.102897D+01  0.239894D+01
      3  -0.412040D-01  0.153892D+01  0.143651D+01  0.117029D+01 -0.216068D+01
               276           277           278           279           280 
      1  -0.176094D+01  0.472421D-01  0.775570D+00 -0.114666D+02  0.773601D+00
      2   0.270992D+01 -0.235532D+01  0.508027D+01  0.232335D+02 -0.330028D+01
      3  -0.192944D+01  0.190330D+01 -0.558949D+01 -0.464622D+01  0.157705D+02
               281           282           283           284           285 
      1   0.751425D-01 -0.229983D+01  0.346807D+00  0.683600D+00 -0.432099D+00
      2   0.238391D+00  0.734322D+01 -0.742947D+00 -0.135031D+01  0.131690D+00
      3  -0.643317D+01 -0.116451D+01 -0.349721D+01  0.820446D+00  0.114816D+01
               286           287           288           289           290 
      1  -0.208309D+01  0.329305D+00 -0.293121D+00  0.141921D+01 -0.414122D+00
      2   0.397812D+01  0.835030D+00  0.368983D+00 -0.228721D+01  0.818104D+00
      3  -0.115877D+01  0.203278D+01  0.756786D+00 -0.434332D+01  0.789061D+01
               291           292           293           294           295 
      1   0.185663D+01 -0.177730D+00  0.387466D+01 -0.504881D+01  0.849503D+00
      2  -0.167444D+01  0.199213D-01 -0.596311D+01  0.477136D+01 -0.204963D+01
      3  -0.204819D+01  0.483141D+01 -0.262692D+02  0.655491D+01 -0.205105D+01
               296           297 
      1  -0.208714D+01  0.242498D+01
      2   0.513022D+01 -0.288194D+01
      3   0.102813D+02 -0.571743D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.817107D+01  0.208862D+01 -0.267130D+02  0.743803D+01 -0.129960D+02
      2   0.497109D+01 -0.225792D+01  0.745574D+01 -0.713361D+01  0.129692D+02
      3   0.319998D+01  0.169298D+00  0.192572D+02 -0.304414D+00  0.267790D-01
      4   0.533210D+01  0.295528D+01  0.311775D+01  0.103404D+02 -0.329315D+01
      5  -0.128588D+02  0.312844D+01 -0.594989D+01  0.386839D+01  0.720429D+01
      6   0.250935D+01  0.380531D+01 -0.324227D+01  0.510528D+01 -0.964374D+01
                 6             7             8             9            10 
      1   0.101039D+02  0.352742D+02  0.261918D+01  0.855730D+01  0.480998D+02
      2  -0.113295D+02 -0.277516D+01 -0.536994D+01  0.256746D+01 -0.196384D+02
      3   0.122563D+01 -0.324991D+02  0.275077D+01 -0.111248D+02 -0.284613D+02
      4   0.657687D+01 -0.349149D+01  0.435262D+01  0.271917D+01 -0.116961D+02
      5   0.210508D+01  0.266798D+01  0.188721D+01 -0.945787D+01 -0.104426D+02
      6   0.139352D+02  0.434077D+01  0.383008D+01  0.273688D+01  0.641882D+01
                11            12            13            14            15 
      1   0.637013D+01 -0.512126D+01  0.722954D+01  0.157056D+01  0.123508D+01
      2  -0.505234D+01  0.114863D+01 -0.123431D+02  0.925858D+01  0.121545D+01
      3  -0.131778D+01  0.397263D+01  0.511354D+01 -0.108291D+02 -0.245054D+01
      4  -0.167677D+00  0.182403D+00  0.217387D+02 -0.552284D+01 -0.118757D+01
      5  -0.642057D+00  0.963454D+01  0.473360D+01 -0.509401D+00 -0.253536D+01
      6   0.152536D+01 -0.722590D+01  0.740949D+00  0.188873D+01  0.511054D+01
                16            17            18            19            20 
      1  -0.964479D+01 -0.619274D+00 -0.217356D+02  0.643916D+01 -0.566711D+01
      2  -0.967692D+00  0.263582D+01  0.919885D-01 -0.207902D+00  0.421398D+01
      3   0.106125D+02 -0.201655D+01  0.216436D+02 -0.623126D+01  0.145314D+01
      4   0.152068D+01 -0.145737D+01 -0.324909D+01 -0.437623D+01 -0.446233D+00
      5  -0.182185D+02 -0.301713D+01  0.664694D+00  0.123604D+02 -0.309982D+00
      6  -0.340257D+00 -0.222890D+01 -0.183908D+01 -0.177492D+01 -0.504960D+01
                21            22            23            24            25 
      1   0.267267D+02 -0.102016D+01 -0.120224D+02 -0.152689D+01 -0.201770D+02
      2  -0.109806D+02  0.248946D+01  0.825692D+01 -0.621174D+01 -0.267502D+01
      3  -0.157461D+02 -0.146930D+01  0.376544D+01  0.773863D+01  0.228521D+02
      4   0.982227D+00  0.122531D+02  0.355150D+01 -0.592014D+01 -0.449428D+01
      5  -0.116532D+02 -0.428622D+01 -0.532487D+01  0.200649D+01  0.675011D+01
      6   0.763143D+01 -0.481795D+01 -0.584498D+01  0.155936D+02 -0.244184D+01
                26            27            28            29            30 
      1   0.111905D+01  0.101542D+02  0.177875D+02 -0.349229D+00  0.236538D+01
      2  -0.303254D+01  0.495591D+01 -0.204660D+01  0.389913D+01  0.175205D+01
      3   0.191349D+01 -0.151101D+02 -0.157409D+02 -0.354990D+01 -0.411742D+01
      4  -0.587913D+01 -0.574098D+00  0.228122D+02  0.147648D+01  0.386839D+00
      5  -0.757813D+00  0.933785D+01  0.323554D+00  0.347825D+00  0.793985D+01
      6   0.606022D+01  0.260665D+00 -0.490226D+00 -0.241798D+01  0.365515D+01
                31            32            33            34            35 
      1  -0.398363D+01  0.248877D+01  0.157853D+01 -0.410439D+01  0.348538D+01
      2   0.581485D+01  0.663437D+01 -0.110624D+01 -0.101336D+01  0.395509D+00
      3  -0.183122D+01 -0.912314D+01 -0.472288D+00  0.511774D+01 -0.388089D+01
      4   0.204306D+02  0.229624D+01  0.181930D+01  0.523683D+00  0.538955D+01
      5   0.767648D+00  0.141610D+01 -0.577070D+00 -0.219646D+02 -0.454926D-01
      6  -0.346663D+01  0.101722D+01  0.299418D+01  0.143612D+01 -0.260340D+01
                36            37            38            39            40 
      1  -0.255583D+02  0.790187D+00 -0.722142D+00 -0.270364D+02 -0.249520D+01
      2   0.141160D+01 -0.848837D+00  0.199017D+01  0.974322D+01  0.139372D+01
      3   0.241467D+02  0.586495D-01 -0.126803D+01  0.172932D+02  0.110148D+01
      4  -0.254286D+01 -0.126186D+01  0.135527D+01  0.369786D+00  0.558821D+01
      5  -0.310746D+00 -0.213452D+02  0.137040D+01 -0.158185D+01  0.245651D+01
      6  -0.332469D+01  0.467355D+01  0.455215D+01  0.445016D+01  0.691717D+01
                41            42            43            44            45 
      1  -0.846363D+01 -0.143142D+01  0.240805D+02 -0.426000D+01  0.127761D+02
      2   0.889794D+01  0.272399D+01  0.269874D+01  0.174468D+01  0.409720D+00
      3  -0.434302D+00 -0.129257D+01 -0.267793D+02  0.251532D+01 -0.131858D+02
      4   0.217182D+01  0.701442D+01  0.590603D+01  0.502828D+01  0.243271D+01
      5   0.442659D+01  0.233073D+01  0.139657D+02  0.766558D+00 -0.913656D+01
      6   0.289885D+01  0.943286D+01  0.462352D+00  0.373079D+01  0.500027D+01
                46            47            48            49            50 
      1  -0.247578D+01 -0.285453D+01  0.238909D+02  0.546385D+01 -0.115686D+02
      2   0.615280D+01  0.429056D+00 -0.826951D+01 -0.281604D+01  0.103574D+02
      3  -0.367702D+01  0.242547D+01 -0.156214D+02 -0.264781D+01  0.121122D+01
      4   0.300250D+01  0.103452D+01 -0.178919D+01  0.324011D+01 -0.291897D+00
      5   0.234428D+02 -0.157017D+01 -0.668279D+01 -0.611290D+01 -0.401351D+01
      6  -0.440458D+01 -0.241414D+01  0.306733D+00 -0.377821D+01  0.719345D+01
                51            52            53            54            55 
      1  -0.118707D+02 -0.265130D+02 -0.435652D+01  0.121991D+02 -0.334182D+02
      2   0.842048D+01  0.294219D+01  0.436543D+01  0.568880D+01  0.157131D+02
      3   0.345024D+01  0.235708D+02 -0.891050D-02 -0.178879D+02  0.177051D+02
      4  -0.541866D+01  0.430404D+01 -0.353695D+01 -0.456925D+00 -0.152149D+01
      5  -0.201203D+00  0.113817D+02 -0.214648D+00  0.881836D+01  0.209085D+01
      6   0.136091D+02 -0.248191D+01  0.509602D+01  0.266482D+01 -0.488872D+01
                56            57            58            59            60 
      1  -0.100938D+02 -0.177129D+01 -0.442138D+02 -0.271057D+02  0.840844D+01
      2   0.609334D+01  0.134797D+01  0.247580D+02  0.119956D+02 -0.587313D+01
      3   0.400048D+01  0.423315D+00  0.194557D+02  0.151101D+02 -0.253531D+01
      4  -0.185680D+02  0.223374D+01 -0.464208D+02  0.645271D+01  0.104502D+02
      5   0.302926D+01 -0.145648D+02  0.642946D+01  0.111245D+02  0.222931D+02
      6  -0.100888D+01  0.522419D+01  0.270074D+01 -0.662623D+01 -0.964975D+01
                61            62            63            64            65 
      1   0.767186D+01  0.788337D+01 -0.114121D+02 -0.354024D+02  0.105607D+02
      2  -0.725451D+00 -0.459114D+01  0.301004D+01  0.240980D+02 -0.517480D+01
      3  -0.694641D+01 -0.329224D+01  0.840206D+01  0.113044D+02 -0.538592D+01
      4   0.198310D+01  0.126363D+02  0.313373D+02  0.129130D+02  0.249089D+02
      5  -0.298886D+02  0.277962D+02 -0.879983D+01  0.248515D+02 -0.557465D+01
      6   0.130956D+02 -0.113258D+02 -0.712380D+00  0.557186D+01 -0.219463D+00
                66            67            68            69            70 
      1   0.274687D+02  0.494232D+02  0.413812D+02 -0.107365D+02  0.268103D+02
      2  -0.131082D+02 -0.207546D+02 -0.178336D+02  0.252991D+01 -0.131811D+02
      3  -0.143605D+02 -0.286685D+02 -0.235476D+02  0.820655D+01 -0.136292D+02
      4  -0.369962D+01  0.443232D+02  0.622095D+01 -0.134595D+02 -0.686794D+01
      5   0.153738D+02 -0.159033D+02 -0.156875D+02 -0.262282D+02  0.269457D+02
      6   0.601244D+01 -0.296268D+01 -0.162339D+01 -0.589359D+01  0.124342D+01
                71            72            73            74            75 
      1  -0.699758D+01  0.352174D+02  0.477555D+02 -0.123038D+02 -0.292481D+02
      2  -0.285526D+01 -0.172957D+02 -0.281429D+02  0.339470D+01  0.137805D+02
      3   0.985284D+01 -0.179217D+02 -0.196126D+02  0.890912D+01  0.154676D+02
      4  -0.147216D+02 -0.244764D+02 -0.172752D+02 -0.357991D+02  0.124210D+02
      5  -0.264731D+02  0.190471D+02 -0.263357D+02  0.138216D+02 -0.240861D+02
      6  -0.508739D+01  0.730919D+01  0.213759D+01  0.621789D+01 -0.943458D+00
                76            77            78            79            80 
      1  -0.248411D+02 -0.433991D+02  0.192146D+02 -0.310165D+02  0.167269D+02
      2   0.634367D+01  0.220791D+02 -0.187542D+01  0.138404D+02 -0.105650D+01
      3   0.184975D+02  0.213200D+02 -0.173392D+02  0.171761D+02 -0.156704D+02
      4  -0.563010D+02 -0.240038D+02  0.307449D+02  0.146756D+02  0.269620D+02
      5   0.191544D+02  0.336543D+02  0.368599D+02 -0.388020D+02  0.376827D+02
      6   0.105235D+02  0.443199D+01 -0.624838D+01  0.593561D+00 -0.550707D+01
                81            82            83            84            85 
      1  -0.360153D+02  0.482599D+02 -0.840719D+01 -0.120734D+02 -0.145868D+02
      2   0.221197D+02 -0.316271D+02 -0.758835D+01  0.147675D+02 -0.922459D+01
      3   0.138956D+02 -0.166328D+02  0.159955D+02 -0.269415D+01  0.238114D+02
      4   0.363686D+02 -0.426700D+01 -0.275196D+02  0.149566D+01 -0.349833D+02
      5  -0.459633D+00 -0.909274D+01  0.386768D+01 -0.170193D+02  0.750806D+01
      6  -0.602318D+01 -0.540062D+01 -0.111478D+00 -0.503041D+01  0.878132D+00
                86            87            88            89            90 
      1  -0.227596D+02 -0.143140D+01 -0.138608D+02 -0.198154D+01 -0.224656D+02
      2  -0.671173D+01 -0.297198D+00  0.170687D+02  0.462579D+01  0.264140D+02
      3   0.294713D+02  0.172859D+01 -0.320790D+01 -0.264425D+01 -0.394837D+01
      4  -0.354160D+02  0.145596D+02  0.379298D+01  0.232988D+02  0.141626D+02
      5   0.117873D+02  0.232086D+02 -0.229615D+02  0.207287D+02 -0.268582D+02
      6   0.592385D+01  0.981729D+01 -0.333445D+01  0.885417D+01 -0.228136D+01
                91            92            93            94            95 
      1   0.122198D+02 -0.469186D+01  0.428818D+00 -0.123566D+02 -0.196873D+02
      2  -0.105568D+02 -0.311214D+01 -0.283733D+01  0.178200D+01  0.485216D+01
      3  -0.166300D+01  0.780399D+01  0.240851D+01  0.105746D+02  0.148352D+02
      4  -0.208098D+02 -0.171948D+02 -0.533942D+01 -0.452055D+02  0.565125D+01
      5  -0.644165D+00 -0.447850D+01 -0.621134D+01 -0.417878D+01 -0.105227D+02
      6  -0.206863D+01 -0.730940D+00 -0.293777D+01 -0.355459D+01 -0.251829D+01
                96            97            98            99           100 
      1  -0.161435D+01 -0.105047D+02 -0.307240D+01 -0.116329D+01 -0.543871D+01
      2   0.128441D+01 -0.465078D+01 -0.268625D+00  0.110548D+02  0.405900D+01
      3   0.329940D+00  0.151555D+02  0.334102D+01 -0.989150D+01  0.137971D+01
      4  -0.106583D+02 -0.915911D+01 -0.208071D+02  0.259703D+00  0.841652D+01
      5   0.197856D+00 -0.101846D+02  0.160569D+01  0.358332D+02 -0.196787D+02
      6   0.986881D+00 -0.208095D+01  0.190981D+01  0.323558D+01  0.551253D+01
               101           102           103           104           105 
      1   0.333225D+01 -0.933079D+01  0.119376D+02  0.785448D+01  0.505300D+01
      2  -0.888980D+00  0.931769D+01 -0.887589D+01 -0.487882D+01 -0.825019D+01
      3  -0.244327D+01  0.131011D-01 -0.306167D+01 -0.297566D+01  0.319719D+01
      4   0.784615D+00  0.555729D+01  0.333587D+01 -0.138374D+02  0.126115D+02
      5   0.495122D+01 -0.722537D+01  0.914235D+00  0.122079D+02  0.135616D+02
      6  -0.437066D+01  0.576517D+01  0.432050D+01 -0.117454D+02 -0.897561D+01
               106           107           108           109           110 
      1  -0.264492D+02  0.571972D+01 -0.859236D+01  0.402703D+02 -0.542013D+01
      2   0.179475D+02 -0.454582D+01  0.119529D+02 -0.257517D+02  0.120755D+01
      3   0.850170D+01 -0.117390D+01 -0.336058D+01 -0.145186D+02  0.421258D+01
      4   0.127717D+02 -0.473239D+01  0.136310D+02 -0.140258D+02  0.158096D+02
      5  -0.267781D+02  0.118286D+02 -0.406320D+02  0.365978D+02 -0.431794D+01
      6   0.105117D+02 -0.149142D+02  0.137178D+02 -0.982540D+01  0.316589D+01
               111           112           113           114           115 
      1   0.263702D+02 -0.383277D+01  0.186143D+01  0.112376D+01  0.420630D+02
      2  -0.190970D+02 -0.634561D+00  0.207111D+01 -0.215651D+00 -0.263967D+02
      3  -0.727315D+01  0.446733D+01 -0.393254D+01 -0.908109D+00 -0.156663D+02
      4  -0.823344D+01  0.160508D+02 -0.670958D+01  0.132107D+02 -0.192390D+02
      5   0.271009D+02 -0.656355D+01  0.131851D+02 -0.103398D+02  0.457528D+02
      6  -0.619413D+01  0.485896D+01 -0.655228D+01  0.133306D+02 -0.117653D+02
               116           117           118           119           120 
      1  -0.127577D+01  0.959890D+01  0.152422D+01 -0.122300D+02 -0.944314D+01
      2  -0.338851D+01 -0.307625D+02 -0.143340D+01  0.149650D+02  0.410860D+01
      3   0.466428D+01  0.211636D+02 -0.908191D-01 -0.273498D+01  0.533453D+01
      4   0.288344D+02 -0.128987D+02 -0.159314D+01 -0.479343D+01  0.684838D+01
      5  -0.116529D+02  0.744858D+02 -0.838892D+01  0.225202D+01  0.443197D+01
      6   0.147201D+02 -0.277926D+02  0.478393D+01 -0.425584D-01 -0.144941D+00
               121           122           123           124           125 
      1  -0.830684D+01 -0.893578D+01 -0.525159D+01 -0.120937D+02 -0.716825D+01
      2   0.130064D+02 -0.311842D+01  0.109723D+02  0.144964D+00  0.212820D+02
      3  -0.469961D+01  0.120542D+02 -0.572071D+01  0.119487D+02 -0.141137D+02
      4  -0.338039D+01  0.267705D+02 -0.196437D+02  0.194025D+02 -0.370325D+02
      5   0.782861D+01 -0.197933D+02 -0.647820D+01  0.108792D+02 -0.137935D+02
      6  -0.494526D+01  0.193710D+02  0.106644D+02 -0.425210D+01  0.158427D+02
               126           127           128           129           130 
      1  -0.479075D+01  0.797612D+00  0.169553D+01 -0.354773D+01 -0.908279D+00
      2  -0.132311D+01 -0.638006D+01 -0.749679D+00 -0.596425D+01  0.144045D+01
      3   0.611386D+01  0.558244D+01 -0.945847D+00  0.951198D+01 -0.532171D+00
      4  -0.117938D+02 -0.553955D+01  0.411856D+01 -0.515108D+01  0.127006D+01
      5  -0.225683D+02  0.166979D+02 -0.288379D+01  0.168910D+02 -0.252282D+01
      6   0.170107D+02 -0.613769D+01  0.390151D+01 -0.678243D+01  0.167946D+01
               131           132           133           134           135 
      1  -0.122273D+01  0.139218D+01 -0.482611D+01  0.432679D+01 -0.200578D+02
      2  -0.432018D+00  0.101784D+01 -0.727611D+01 -0.793398D+00 -0.117567D+02
      3   0.165475D+01 -0.241002D+01  0.121022D+02 -0.353340D+01  0.318146D+02
      4  -0.141910D+01  0.210527D+01 -0.448223D+01  0.412294D+01 -0.642962D+01
      5   0.223210D+01 -0.325086D+01  0.174069D+02 -0.353257D+01  0.254646D+02
      6  -0.113294D+01  0.307363D+01 -0.685144D+01  0.757539D+01 -0.141642D+02
               136           137           138           139           140 
      1  -0.256793D+01 -0.179647D+00  0.592759D+01 -0.499173D+00 -0.126110D+01
      2  -0.546030D+01  0.115768D+00  0.605786D+01 -0.826550D-03 -0.506899D+00
      3   0.802823D+01  0.638790D-01 -0.119855D+02  0.500000D+00  0.176800D+01
      4   0.271224D+01  0.211183D+01 -0.255143D+01  0.433511D+00 -0.169851D+00
      5  -0.112730D+02 -0.630895D+00  0.144195D+02 -0.248310D-01 -0.128713D+01
      6  -0.278325D+01 -0.211611D+01  0.307520D+01 -0.418295D+00 -0.467428D+00
               141           142           143           144           145 
      1   0.754120D+00  0.769041D+01  0.272049D+01 -0.309550D+02  0.410051D+01
      2   0.364570D+00  0.635236D+01 -0.814734D+00 -0.160801D+02 -0.541877D+01
      3  -0.111869D+01 -0.140428D+02 -0.190576D+01  0.470351D+02  0.131826D+01
      4  -0.829579D+00 -0.292462D+01 -0.280041D+01  0.400163D+01  0.197571D+00
      5  -0.176039D+00  0.137008D+02  0.143764D+01 -0.225410D+02  0.114303D+02
      6   0.227296D+01  0.429573D+01  0.706183D+01 -0.118753D+02  0.124255D+01
               146           147           148           149           150 
      1  -0.863353D+00 -0.139646D+01 -0.130870D+01 -0.283426D+00  0.141034D+01
      2   0.728030D+00 -0.409713D+01  0.713499D+00 -0.692450D+00  0.577034D+00
      3   0.135323D+00  0.549359D+01  0.595201D+00  0.975876D+00 -0.198738D+01
      4   0.303162D+01  0.763156D+00  0.160356D+01 -0.114776D+01  0.551064D+00
      5  -0.108546D+01  0.101484D+02 -0.122673D+01  0.201171D+01 -0.187362D+01
      6   0.167023D+01  0.137384D+01  0.220998D+00 -0.715392D+00  0.969946D+00
               151           152           153           154           155 
      1  -0.385317D+01  0.829928D+00 -0.149495D+02  0.497361D+00  0.129170D+01
      2  -0.519650D+01  0.925227D+00 -0.897652D+01 -0.518169D+01 -0.968378D+00
      3   0.904968D+01 -0.175515D+01  0.239260D+02  0.468433D+01 -0.323320D+00
      4   0.144898D+01  0.270626D+01  0.126209D+01 -0.161290D+01  0.215551D+01
      5   0.124082D+02 -0.928887D+00  0.173610D+02 -0.965279D+01  0.411589D+00
      6   0.215150D+01  0.420810D+01  0.378390D+01  0.326211D+01 -0.189257D+01
               156           157           158           159           160 
      1   0.308996D+01 -0.918733D+00 -0.131883D+01  0.133812D+01  0.357873D+01
      2   0.497883D+01  0.449458D+00 -0.445178D+00  0.182354D-01  0.657374D+01
      3  -0.806879D+01  0.469275D+00  0.176401D+01 -0.135636D+01 -0.101525D+02
      4   0.218716D+01  0.112872D+01 -0.498208D+00 -0.931513D+00  0.154925D+01
      5   0.122752D+02  0.471619D+00 -0.172773D+01 -0.448313D+00  0.130567D+02
      6  -0.412902D+01 -0.997749D+00  0.244736D-01  0.172768D+01 -0.368446D+01
               161           162           163           164           165 
      1  -0.165126D+01 -0.236122D+02  0.116015D+02 -0.504270D+01 -0.640137D+01
      2   0.113324D+01 -0.129442D+02 -0.414254D+01  0.653373D+00  0.256844D+01
      3   0.518017D+00  0.365564D+02 -0.745895D+01  0.438933D+01  0.383293D+01
      4  -0.262397D+01 -0.269587D+01 -0.120325D+02  0.144371D+02  0.619800D+01
      5  -0.266891D+00 -0.205766D+02 -0.110129D+02  0.476134D+01  0.848330D+01
      6   0.580668D+01  0.101620D+02  0.511185D+01 -0.228025D+01 -0.274655D+01
               166           167           168           169           170 
      1  -0.380147D+01 -0.318754D+01 -0.339582D+01 -0.209726D+02 -0.569709D+01
      2  -0.217474D+01  0.120531D+02  0.545745D+01  0.912310D+01  0.670072D+01
      3   0.597621D+01 -0.886555D+01 -0.206162D+01  0.118495D+02 -0.100363D+01
      4   0.222988D+02 -0.302711D+02 -0.165095D+02  0.143288D+02 -0.234623D+02
      5   0.776620D+01 -0.150469D+02 -0.128064D+02  0.192692D+02 -0.171916D+02
      6  -0.565227D+01  0.121039D+02  0.102294D+02 -0.904135D+01  0.122335D+02
               171           172           173           174           175 
      1   0.234722D+00  0.169935D+02 -0.367354D+01  0.863726D+01  0.906680D-01
      2  -0.931675D+00 -0.842945D+01 -0.199138D+00 -0.432908D+01 -0.236986D+01
      3   0.696954D+00 -0.856407D+01  0.387268D+01 -0.430818D+01  0.227919D+01
      4  -0.199928D+02 -0.114314D+02  0.142704D+02 -0.832065D+01  0.140538D+02
      5  -0.200312D+02  0.149321D+02 -0.668002D+01  0.130537D+02 -0.575968D+01
      6   0.119782D+02 -0.504698D+01  0.252396D+01 -0.355300D+01  0.372561D+01
               176           177           178           179           180 
      1   0.181573D+01  0.576255D+00  0.200992D+02  0.738440D+00  0.186574D+01
      2   0.317878D+01 -0.212993D+01 -0.100908D+02 -0.269890D+01 -0.342472D+01
      3  -0.499450D+01  0.155368D+01 -0.100084D+02  0.196046D+01  0.155899D+01
      4  -0.149672D+02  0.886142D+01 -0.131266D+02  0.164670D+02 -0.175664D+02
      5   0.839782D+01 -0.907732D+01  0.179318D+02 -0.154520D+02  0.267662D+02
      6  -0.543760D+01  0.739221D+01 -0.657072D+01  0.890078D+01 -0.102975D+02
               181           182           183           184           185 
      1  -0.118896D+02  0.344569D+01 -0.157758D+02  0.137383D+01 -0.153191D+02
      2   0.354409D+01 -0.185513D+01  0.537078D+01 -0.133197D+01  0.880496D+01
      3   0.834550D+01 -0.159056D+01  0.104051D+02 -0.418651D-01  0.651414D+01
      4  -0.200435D+01 -0.557354D+01  0.850685D+00 -0.324126D+01  0.727763D+01
      5  -0.816279D+01  0.137029D+01 -0.538334D+01  0.295941D+00 -0.533016D+01
      6  -0.451156D+01  0.203365D+01 -0.459367D+01  0.172149D+01 -0.576525D+01
               186           187           188           189           190 
      1   0.769105D+01 -0.249240D+02  0.775315D+01 -0.242134D+02  0.996767D+01
      2  -0.344437D+01  0.102404D+02 -0.182514D+01  0.924303D-01 -0.719621D+01
      3  -0.424668D+01  0.146836D+02 -0.592801D+01  0.241210D+02 -0.277146D+01
      4  -0.517122D+01 -0.499416D+00 -0.766202D+01  0.972877D+01 -0.959357D+01
      5   0.124468D+02 -0.159883D+01  0.112572D+02 -0.320276D+02 -0.124093D+02
      6   0.942850D+01 -0.265370D+01  0.784174D+01 -0.134964D+02  0.259629D+01
               191           192           193           194           195 
      1  -0.972980D+01 -0.105335D+02 -0.238579D+02  0.120862D+02  0.659377D+01
      2   0.585525D+01  0.698741D+01  0.148407D+02 -0.738413D+01 -0.921322D+01
      3   0.387455D+01  0.354613D+01  0.901719D+01 -0.470211D+01  0.261945D+01
      4   0.105453D+02  0.560335D+01  0.218579D+02 -0.296340D+02 -0.253666D+02
      5   0.658415D+01  0.151011D+02  0.168775D+02 -0.262522D+02 -0.322287D+02
      6  -0.177083D+01 -0.119283D+01 -0.435225D+01  0.824350D+01  0.818424D+01
               196           197           198           199           200 
      1  -0.249311D+02  0.398949D+01  0.143522D+02  0.458786D+02 -0.109324D+02
      2   0.180543D+02 -0.733569D+01 -0.212260D+02 -0.225925D+02  0.535534D+01
      3   0.687684D+01  0.334620D+01  0.687380D+01 -0.232861D+02  0.557707D+01
      4   0.111366D+02 -0.272565D+02 -0.263464D+02 -0.988388D+01  0.139660D+02
      5   0.323773D+02 -0.276514D+02 -0.503495D+02  0.222350D+02 -0.736436D+01
      6  -0.267152D+01  0.841520D+01  0.771183D+01 -0.531285D+00 -0.690003D+00
               201           202           203           204           205 
      1   0.239301D+02 -0.213206D+02  0.163413D+02 -0.970610D+01  0.558612D+02
      2  -0.112390D+02  0.104952D+02 -0.680453D+01  0.340450D+01 -0.283857D+02
      3  -0.126911D+02  0.108254D+02 -0.953674D+01  0.630160D+01 -0.274755D+02
      4  -0.730042D+01  0.201826D+02 -0.125100D+02  0.737366D+01 -0.117943D+02
      5   0.212005D+02 -0.967923D+01  0.702912D+01 -0.162238D+02  0.314181D+02
      6   0.174147D+00 -0.199025D+00 -0.136240D+01  0.275540D+01 -0.134713D+00
               206           207           208           209           210 
      1  -0.120657D+02  0.271842D+02  0.470481D+02  0.274205D+02 -0.854058D+01
      2   0.496779D+01 -0.159467D+02 -0.206033D+02 -0.111965D+02  0.500310D+01
      3   0.709794D+01 -0.112375D+02 -0.264447D+02 -0.162240D+02  0.353748D+01
      4   0.148913D+02 -0.145230D+02  0.341302D+02  0.311349D+02 -0.979230D+01
      5  -0.149728D+02  0.412280D+02 -0.143389D+02 -0.111117D+02  0.140197D+02
      6   0.240719D+01  0.142247D+00 -0.599792D+01 -0.490250D+01  0.290378D+01
               211           212           213           214           215 
      1   0.572176D+02  0.306260D+02 -0.121730D+02 -0.108139D+02 -0.713477D+01
      2  -0.232791D+02 -0.540412D+01  0.616731D+01  0.682646D+01  0.320171D+01
      3  -0.339385D+02 -0.252218D+02  0.600573D+01  0.398745D+01  0.393306D+01
      4   0.520194D+02  0.612712D+02 -0.177266D+02 -0.118562D+02 -0.148579D+02
      5  -0.216506D+02 -0.188210D+02  0.159142D+02  0.209432D+02  0.912164D+01
      6  -0.934049D+01 -0.115436D+02  0.788177D+01  0.474696D+01  0.698830D+01
               216           217           218           219           220 
      1   0.124780D+02  0.113502D+02 -0.159442D+01  0.113699D+02 -0.709251D+01
      2  -0.764959D+01 -0.979688D+01  0.389472D+01 -0.123067D+02  0.697464D+01
      3  -0.482844D+01 -0.155332D+01 -0.230030D+01  0.936732D+00  0.117870D+00
      4   0.861351D+01  0.295095D+01  0.881100D+01  0.316880D+01  0.496999D+01
      5  -0.132460D+02  0.183626D+02  0.215462D+00  0.234293D+02 -0.644080D+01
      6  -0.404272D+01  0.354022D+01  0.224102D+01  0.508439D+01  0.709326D+00
               221           222           223           224           225 
      1   0.356471D+01 -0.228912D+01  0.152021D+02 -0.220684D+01  0.361556D+01
      2  -0.258731D+01  0.656063D+01 -0.153428D+02  0.502224D+01 -0.235151D+02
      3  -0.977398D+00 -0.427151D+01  0.140649D+00 -0.281540D+01  0.198995D+02
      4  -0.195886D+01  0.381666D+01  0.462699D+01  0.797175D+01  0.193905D+01
      5   0.543702D+01 -0.149890D+02  0.239182D+02 -0.163152D+01  0.518380D+02
      6  -0.171650D+01  0.344619D+00  0.532829D+01  0.443737D+01  0.133579D+02
               226           227           228           229           230 
      1  -0.529189D+02  0.132322D+02  0.117826D+02  0.799204D+01 -0.102285D+02
      2   0.293552D+02 -0.120659D+02 -0.649745D+01 -0.598493D+01  0.101034D+02
      3   0.235637D+02 -0.116637D+01 -0.528518D+01 -0.200711D+01  0.125131D+00
      4  -0.144116D+02 -0.412825D+01 -0.145087D+01  0.190312D+01  0.353837D+01
      5  -0.122346D+01 -0.374331D+01 -0.364144D+01 -0.117337D+01 -0.502113D+00
      6   0.316475D+01 -0.516844D+01 -0.510903D+01 -0.333198D+01  0.187880D+01
               231           232           233           234           235 
      1  -0.384595D+01  0.974274D+01 -0.275703D+01 -0.635739D+01  0.128219D+02
      2   0.240210D+01 -0.513122D+01  0.109378D+01  0.731528D+00  0.256070D+01
      3   0.144385D+01 -0.461152D+01  0.166325D+01  0.562586D+01 -0.153826D+02
      4  -0.995880D+00  0.108770D+01 -0.223624D+01 -0.138059D+01  0.261992D+02
      5  -0.188596D+01  0.143472D+01 -0.448294D+00  0.478254D+01  0.189969D+01
      6   0.164226D+01 -0.344552D+01  0.273426D+01  0.302060D+01  0.162706D+01
               236           237           238           239           240 
      1   0.114298D+02 -0.779908D+00  0.131989D+02 -0.185964D+01 -0.102911D+01
      2   0.704464D+01 -0.120320D+01  0.856416D+01  0.374650D+02 -0.116900D+01
      3  -0.184744D+02  0.198311D+01 -0.217631D+02 -0.356053D+02  0.219811D+01
      4   0.327068D+02  0.210045D+00  0.380210D+02  0.686073D+02 -0.133732D+01
      5   0.236168D+01  0.777628D+01  0.194252D+01  0.169865D+01  0.698574D+01
      6   0.233054D+01  0.375683D+01  0.169527D+01  0.469210D+01  0.678387D+01
               241           242           243           244           245 
      1  -0.505964D+01 -0.131112D+00  0.305296D+01  0.175550D+01  0.118951D+01
      2  -0.873789D+00 -0.616643D+01  0.516100D-01 -0.573447D+01  0.644050D-01
      3   0.593343D+01  0.629755D+01 -0.310457D+01  0.397898D+01 -0.125391D+01
      4  -0.700640D+01 -0.132331D+02  0.663577D+01  0.247567D+01  0.514695D+01
      5   0.741162D+01  0.506307D+01 -0.143811D+01 -0.139899D+02  0.670222D+00
      6   0.374509D+01  0.582570D+01 -0.225419D+01 -0.115551D+01 -0.177990D+00
               246           247           248           249           250 
      1  -0.798371D+01  0.130559D+01  0.140853D+01  0.291968D+00 -0.104408D+02
      2   0.664608D+01  0.299735D+00 -0.162922D+01 -0.132352D+01  0.104979D+02
      3   0.133763D+01 -0.160532D+01  0.220694D+00  0.103155D+01 -0.571614D-01
      4  -0.410975D+00  0.813132D+01 -0.133463D+01 -0.473530D+01 -0.176620D+01
      5   0.130774D+02  0.601103D+00 -0.519741D+01 -0.402764D+00  0.188286D+02
      6   0.100307D+01 -0.138589D+01 -0.617265D+00  0.487894D+01  0.922645D+00
               251           252           253           254           255 
      1   0.508386D+00 -0.415463D+01 -0.813798D+02 -0.882611D+01  0.800506D+01
      2  -0.822008D+00 -0.167987D+02  0.448212D+02  0.141080D+02 -0.584204D+01
      3   0.313622D+00  0.209533D+02  0.365586D+02 -0.528185D+01 -0.216302D+01
      4  -0.854853D+01  0.129880D+01 -0.146584D+02  0.256608D+02  0.287993D+01
      5  -0.793296D-01 -0.444534D+02  0.113117D+02  0.255932D+00  0.922874D+01
      6   0.389969D+01 -0.430679D+01  0.598027D+01  0.115524D+00  0.504993D+01
               256           257           258           259           260 
      1   0.167456D+02  0.328088D+02 -0.510794D+01  0.186633D+02 -0.454839D+01
      2   0.296777D+01 -0.246938D+02  0.108924D+02 -0.525222D+01  0.146241D+02
      3  -0.197133D+02 -0.811504D+01 -0.578442D+01 -0.134111D+02 -0.100757D+02
      4   0.395734D+02  0.693788D+00  0.173268D+02  0.123675D+02  0.237109D+02
      5   0.471690D+01  0.190341D+02 -0.460827D+01  0.108282D+02 -0.793096D+01
      6   0.389398D+01  0.135871D+02 -0.193021D+01  0.467378D+01 -0.374786D+01
               261           262           263           264           265 
      1   0.167139D+02  0.425961D+01 -0.698062D+01  0.562749D+00 -0.404910D+01
      2  -0.608340D+01  0.414034D+01 -0.404051D+01  0.268748D+00 -0.832391D+01
      3  -0.106305D+02 -0.839995D+01  0.110211D+02 -0.831498D+00  0.123730D+02
      4  -0.325190D+01 -0.141928D+02  0.207337D+02 -0.124999D+01  0.240272D+02
      5  -0.285331D+02 -0.597323D+00 -0.547006D-01  0.236971D+01 -0.209583D+00
      6  -0.138368D+02 -0.362977D+00  0.234158D+00 -0.842390D+00  0.603324D+00
               266           267           268           269           270 
      1  -0.111238D+02 -0.141846D+00  0.179514D+01  0.282453D+01 -0.153726D+01
      2   0.404817D+02 -0.220411D+01  0.398884D+01 -0.153335D+02  0.454429D+01
      3  -0.293579D+02  0.234595D+01 -0.578398D+01  0.125090D+02 -0.300702D+01
      4  -0.611868D+02  0.247831D+01 -0.108831D+02  0.259879D+02 -0.753774D+01
      5   0.530039D+00 -0.787187D+01  0.323061D+01 -0.674837D+01  0.227268D+01
      6  -0.109551D+01  0.557774D+01 -0.272996D+01  0.786520D+01 -0.267552D+01
               271           272           273           274           275 
      1   0.450810D+01  0.271013D+01  0.580167D+01 -0.203310D+01 -0.693045D+01
      2  -0.457509D+01 -0.329731D+01 -0.226733D+01  0.575685D-01  0.525705D+01
      3   0.669873D-01  0.587175D+00 -0.353434D+01  0.197553D+01  0.167340D+01
      4   0.252260D+00 -0.327055D+01  0.105040D+01 -0.162899D+01  0.230617D+01
      5   0.343204D+01 -0.471677D+00 -0.316360D+00  0.533302D+00  0.367225D+01
      6   0.177307D+01 -0.113230D+01 -0.164517D+01  0.139817D+00  0.248350D+01
               276           277           278           279           280 
      1  -0.233142D+01  0.122535D+02 -0.315915D+01 -0.123199D+02  0.126414D+03
      2   0.156767D+01 -0.570525D+01  0.387637D+01 -0.309619D+01 -0.597827D+02
      3   0.763752D+00 -0.654823D+01 -0.717214D+00  0.154161D+02 -0.666318D+02
      4   0.356542D+01  0.927631D+01  0.128441D+02  0.872331D+01  0.472669D+02
      5   0.520631D+01  0.783395D+01  0.999197D+01  0.405065D+02 -0.486230D+01
      6   0.624984D+01  0.225735D+01  0.932345D+01  0.224270D+02 -0.208934D+01
               281           282           283           284           285 
      1   0.116920D+02 -0.505736D+01 -0.695765D+01  0.690897D+01  0.639409D+00
      2  -0.977890D+00  0.277055D+01  0.626631D+01 -0.134237D+01 -0.151869D+01
      3  -0.107141D+02  0.228681D+01  0.691344D+00 -0.556660D+01  0.879284D+00
      4   0.203971D+02 -0.827120D+00  0.104977D+02  0.326988D+01 -0.236147D+01
      5   0.204435D-01  0.127941D+02 -0.357033D+00 -0.259169D+01 -0.168194D+00
      6   0.264347D+00  0.380403D+01 -0.241048D+00 -0.123260D+01  0.740048D+00
               286           287           288           289           290 
      1  -0.128270D+02 -0.761513D+00  0.905957D+01  0.241112D+00  0.129796D+02
      2   0.612969D+01 -0.155166D+01 -0.559674D+01  0.227240D+01 -0.140255D+02
      3   0.669731D+01  0.231317D+01 -0.346282D+01 -0.251351D+01  0.104587D+01
      4  -0.621890D+01 -0.511472D+01  0.427478D+01  0.268321D+01 -0.776492D+01
      5   0.147598D+02  0.242753D+01 -0.816269D+00 -0.305341D+01  0.139781D+01
      6   0.391242D+01  0.201434D+01  0.418689D+00 -0.243619D+01  0.191514D+01
               291           292           293           294           295 
      1  -0.479694D+01  0.952971D+01 -0.292610D+02  0.654654D+01 -0.817712D+01
      2   0.356168D+01 -0.453397D+01  0.461833D+02 -0.955009D+01  0.280682D+01
      3   0.123526D+01 -0.499574D+01 -0.169223D+02  0.300355D+01  0.537030D+01
      4  -0.491970D+00  0.767787D+01  0.432497D+02 -0.102080D+02 -0.689267D+01
      5  -0.274023D+01 -0.776435D+00 -0.124413D+02  0.925458D+01  0.108540D+01
      6  -0.295752D+01 -0.385039D+00 -0.101994D+02  0.878298D+01 -0.802140D-01
               296           297 
      1   0.866734D+01 -0.829795D+01
      2  -0.140767D+02  0.718207D+01
      3   0.540937D+01  0.111588D+01
      4  -0.192412D+02  0.832746D+01
      5   0.103514D+02 -0.556552D+01
      6   0.101584D+02 -0.611735D+01
 Leave Link  716 at Wed Sep  8 14:24:59 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.215790D+03 -0.843035D+00  0.605173D+00
      2  -0.843035D+00  0.132326D+03 -0.101837D+00
      3   0.605173D+00 -0.101837D+00  0.151693D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.697551D+01 -0.186216D+01  0.232403D+02
      2  -0.433425D+02  0.469557D+01  0.413903D+02
      3  -0.973456D+02 -0.334073D+02 -0.174613D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.231668D+03  0.369214D+02 -0.744709D+02
      2  -0.125425D+03 -0.784811D+01  0.333303D+02
      3  -0.106243D+03 -0.290733D+02  0.411406D+02
      4  -0.417728D+02  0.611083D+02  0.101749D+02
      5  -0.466855D+02  0.667685D+01  0.889222D+02
      6   0.680823D+01  0.113931D+02 -0.500153D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.108945D+02  0.585052D+00  0.193903D+00  0.152429D+01  0.211521D+01
      2   0.585052D+00  0.119714D+01 -0.909821D-01  0.211521D+01 -0.169811D+01
      3   0.193903D+00 -0.909821D-01  0.330328D+01  0.635453D+00  0.342338D+01
                 6             7             8             9            10 
      1   0.635453D+00  0.136017D+02  0.541180D+00 -0.116604D+01  0.299041D+02
      2   0.342338D+01  0.541180D+00  0.134259D+01  0.397696D+00  0.107206D+01
      3  -0.442666D+00 -0.116604D+01  0.397696D+00  0.239757D+00 -0.153724D+01
                11            12            13            14            15 
      1   0.107206D+01 -0.153724D+01 -0.173429D+01  0.490691D+01  0.563911D+00
      2   0.143698D+01 -0.251369D+00  0.490691D+01 -0.103154D+01 -0.234959D+00
      3  -0.251369D+00  0.316487D+01  0.563911D+00 -0.234959D+00 -0.682285D+00
                16            17            18            19            20 
      1  -0.340285D+01  0.417196D+00  0.552171D+00  0.130474D+02 -0.562595D+00
      2   0.417196D+00 -0.383447D+00 -0.746342D+00 -0.562595D+00 -0.130080D+01
      3   0.552171D+00 -0.746342D+00  0.852830D+00 -0.250714D+00  0.111985D+01
                21            22            23            24            25 
      1  -0.250714D+00 -0.804745D+00 -0.189782D+01  0.610948D+00  0.118532D+02
      2   0.111985D+01 -0.189782D+01 -0.379516D+00  0.358430D+01 -0.915828D+00
      3  -0.256948D+01  0.610948D+00  0.358430D+01  0.564572D+00  0.103422D+01
                26            27            28            29            30 
      1  -0.915828D+00  0.103422D+01 -0.273426D+02 -0.191176D+00  0.436970D+00
      2   0.197060D+01  0.237204D+00 -0.191176D+00 -0.133255D+01 -0.104739D+00
      3   0.237204D+00  0.904452D+00  0.436970D+00 -0.104739D+00 -0.261385D+01
                31            32            33            34            35 
      1   0.304757D+01 -0.535624D+01 -0.837765D-01  0.133145D+01 -0.137170D+00
      2  -0.535624D+01  0.557510D+00 -0.911651D-01 -0.137170D+00 -0.607777D+00
      3  -0.837765D-01 -0.911651D-01  0.167287D+00 -0.330197D+00 -0.471784D+00
                36            37            38            39            40 
      1  -0.330197D+00  0.881374D+01 -0.324028D+00 -0.375120D+00  0.178750D+00
      2  -0.471784D+00 -0.324028D+00 -0.111103D+01 -0.787890D+00 -0.171207D+01
      3   0.963491D+00 -0.375120D+00 -0.787890D+00 -0.248014D+01 -0.434998D+00
                41            42            43            44            45 
      1  -0.171207D+01 -0.434998D+00 -0.133631D+02  0.588600D+00  0.705759D-01
      2   0.754015D+00 -0.298706D+01  0.588600D+00 -0.144320D+01  0.144697D-01
      3  -0.298706D+01  0.324577D-01  0.705759D-01  0.144697D-01 -0.116811D+01
                46            47            48            49            50 
      1  -0.105327D+02  0.644345D-01  0.538925D+00  0.205628D+01  0.142556D+01
      2   0.644345D-01  0.951291D+00  0.448060D-01  0.142556D+01 -0.414727D+00
      3   0.538925D+00  0.448060D-01  0.122820D+01 -0.696394D+00 -0.343826D+01
                51            52            53            54            55 
      1  -0.696394D+00 -0.108560D+02 -0.271275D+00 -0.205166D+00 -0.138495D+02
      2  -0.343826D+01 -0.271275D+00 -0.158841D+01 -0.703329D-02 -0.210134D+01
      3  -0.805471D+00 -0.205166D+00 -0.703329D-02 -0.108505D+01  0.494952D+00
                56            57            58            59            60 
      1  -0.210134D+01  0.494952D+00 -0.731301D+01 -0.690691D+01  0.454669D+00
      2  -0.276395D+01  0.398515D+00 -0.690691D+01  0.534086D-01  0.148058D+01
      3   0.398515D+00 -0.198004D+01  0.454669D+00  0.148058D+01  0.298664D+01
                61            62            63            64            65 
      1   0.438921D+01  0.552948D+00 -0.380213D+01 -0.188353D+00  0.239423D+01
      2   0.552948D+00  0.192929D+01  0.378457D+01  0.239423D+01  0.332057D+01
      3  -0.380213D+01  0.378457D+01 -0.959440D+00  0.249066D+01 -0.852949D+00
                66            67            68            69            70 
      1   0.249066D+01  0.115047D+02  0.631789D+01 -0.180000D+01  0.569326D+00
      2  -0.852949D+00  0.631789D+01  0.110471D+01 -0.176375D+01 -0.115556D+01
      3   0.233604D+01 -0.180000D+01 -0.176375D+01 -0.325756D+01  0.339175D+01
                71            72            73            74            75 
      1  -0.115556D+01  0.339175D+01  0.450384D+01 -0.143685D+01 -0.233308D+01
      2  -0.210476D+01 -0.354473D+01 -0.143685D+01 -0.326251D+01  0.113417D+01
      3  -0.354473D+01  0.293640D+01 -0.233308D+01  0.113417D+01 -0.229025D+01
                76            77            78            79            80 
      1  -0.350029D+01 -0.522048D+01  0.146372D+01 -0.216218D+01  0.122355D+01
      2  -0.522048D+01 -0.209913D+01  0.293407D+01  0.122355D+01  0.267033D+01
      3   0.146372D+01  0.293407D+01  0.338429D+01 -0.350970D+01  0.360474D+01
                81            82            83            84            85 
      1  -0.350970D+01  0.544120D+01 -0.226716D+01 -0.174760D+01 -0.385905D+01
      2   0.360474D+01 -0.226716D+01 -0.308573D+01  0.768791D+00 -0.395332D+01
      3  -0.644635D-01 -0.174760D+01  0.768791D+00 -0.205390D+01  0.130842D+01
                86            87            88            89            90 
      1  -0.395332D+01  0.130842D+01 -0.162405D+01  0.113693D+01 -0.248142D+01
      2  -0.365125D+01  0.194471D+01  0.113693D+01  0.303011D+01  0.259880D+01
      3   0.194471D+01  0.279419D+01 -0.248142D+01  0.259880D+01 -0.292828D+01
                91            92            93            94            95 
      1   0.386569D+01  0.253758D+01 -0.319906D+00  0.336746D+00  0.616226D+01
      2   0.253758D+01  0.215237D+01  0.761404D+00  0.616226D+01 -0.198185D+01
      3  -0.319906D+00  0.761404D+00  0.102317D+01  0.542292D+00  0.140380D+01
                96            97            98            99           100 
      1   0.542292D+00  0.334100D+01  0.447008D+00  0.146722D+01  0.304115D+01
      2   0.140380D+01  0.447008D+00  0.305936D+01 -0.309663D+00 -0.127971D+01
      3  -0.260624D+00  0.146722D+01 -0.309663D+00 -0.471698D+01  0.212360D+01
               101           102           103           104           105 
      1  -0.127971D+01  0.212360D+01 -0.115127D+01 -0.139093D+01 -0.510900D+00
      2  -0.837603D-01 -0.681371D+00 -0.139093D+01  0.269001D+01 -0.169936D+01
      3  -0.681371D+00  0.897998D+00 -0.510900D+00 -0.169936D+01 -0.460411D+00
               106           107           108           109           110 
      1   0.309005D+01 -0.162605D+01  0.222180D+01 -0.497886D+01  0.971789D+00
      2  -0.162605D+01 -0.454341D-01 -0.140424D+01  0.971789D+00 -0.113074D+01
      3   0.222180D+01 -0.140424D+01  0.461901D+01 -0.387926D+01  0.465748D+00
               111           112           113           114           115 
      1  -0.387926D+01  0.822202D+00 -0.130750D+01  0.710527D+00 -0.834701D+01
      2   0.465748D+00 -0.130750D+01  0.497654D+00 -0.175391D+01  0.243433D+01
      3  -0.219306D+01  0.710527D+00 -0.175391D+01  0.985652D+00 -0.432173D+01
               116           117           118           119           120 
      1   0.243433D+01 -0.432173D+01  0.632542D+00  0.349026D+00  0.118211D+01
      2  -0.387459D+01  0.150026D+01  0.349026D+00  0.207018D+01 -0.195312D+00
      3   0.150026D+01 -0.927571D+01  0.118211D+01 -0.195312D+00  0.146760D+00
               121           122           123           124           125 
      1   0.115769D+01  0.148176D+01 -0.595561D+00  0.329483D+01 -0.197478D+01
      2   0.148176D+01 -0.326333D+01  0.291396D+01 -0.197478D+01  0.553858D+01
      3  -0.595561D+00  0.291396D+01  0.333317D+00 -0.446549D+00  0.178529D+01
               126           127           128           129           130 
      1  -0.446549D+00  0.324371D+01 -0.388674D+00  0.263231D+01 -0.105637D+01
      2   0.178529D+01 -0.388674D+00  0.469900D+00 -0.527594D+00  0.129210D+00
      3   0.310123D+01  0.263231D+01 -0.527594D+00  0.275967D+01 -0.485914D+00
               131           132           133           134           135 
      1   0.129210D+00 -0.485914D+00  0.283923D+01 -0.444733D+00  0.327243D+01
      2  -0.148473D+00  0.145433D+00 -0.444733D+00  0.943546D+00 -0.992343D+00
      3   0.145433D+00 -0.610604D+00  0.327243D+01 -0.992343D+00  0.650346D+01
               136           137           138           139           140 
      1  -0.218971D+01 -0.784501D-01  0.223389D+01  0.177428D+00  0.667682D-01
      2  -0.784501D-01 -0.201574D+00  0.540170D-01  0.667682D-01 -0.778214D-01
      3   0.223389D+01  0.540170D-01 -0.256181D+01 -0.860239D-01  0.356056D-01
               141           142           143           144           145 
      1  -0.860239D-01  0.220876D+01  0.240458D+00 -0.298320D+01 -0.372909D+01
      2   0.356056D-01  0.240458D+00  0.854718D+00 -0.529416D+00  0.556449D+00
      3  -0.269676D+00 -0.298320D+01 -0.529416D+00  0.829953D+01 -0.208297D+01
               146           147           148           149           150 
      1   0.556449D+00 -0.208297D+01  0.888130D+00 -0.156509D+00  0.428793D+00
      2  -0.518073D+00  0.224593D+00 -0.156509D+00  0.162270D+00 -0.120784D+00
      3   0.224593D+00 -0.193415D+01  0.428793D+00 -0.120784D+00  0.498849D+00
               151           152           153           154           155 
      1  -0.252580D+01  0.181888D+00 -0.276654D+01  0.226492D+01  0.527568D-01
      2   0.181888D+00 -0.796958D+00  0.391688D+00  0.527568D-01  0.235135D+00
      3  -0.276654D+01  0.391688D+00 -0.546299D+01 -0.211191D+01  0.169332D+00
               156           157           158           159           160 
      1  -0.211191D+01 -0.217981D+00 -0.496010D-01  0.102662D+00 -0.242625D+01
      2   0.169332D+00 -0.496010D-01 -0.598670D-01 -0.802102D-01 -0.104072D+00
      3   0.228645D+01  0.102662D+00 -0.802102D-01  0.186026D+00  0.295120D+01
               161           162           163           164           165 
      1  -0.104072D+00  0.295120D+01  0.247925D+01 -0.108456D+01 -0.134373D+01
      2  -0.796859D+00 -0.142749D+00 -0.108456D+01  0.133165D+01  0.506488D+00
      3  -0.142749D+00 -0.766587D+01 -0.134373D+01  0.506488D+00  0.737163D+00
               166           167           168           169           170 
      1  -0.156645D+01  0.233976D+01  0.910470D+00 -0.584568D+01  0.907643D+00
      2   0.233976D+01 -0.406725D+01 -0.225731D+01  0.907643D+00 -0.317130D+01
      3   0.910470D+00 -0.225731D+01 -0.186642D+01  0.233140D+01 -0.253021D+01
               171           172           173           174           175 
      1   0.233140D+01  0.254083D+01 -0.839071D+00  0.162757D+01 -0.204094D+00
      2  -0.253021D+01 -0.839071D+00  0.148044D+01 -0.689296D+00  0.161192D+01
      3  -0.291269D+01  0.162757D+01 -0.689296D+00  0.128861D+01 -0.574180D+00
               176           177           178           179           180 
      1   0.161192D+01 -0.574180D+00  0.439063D+01 -0.801836D+00  0.191481D+01
      2  -0.180035D+01  0.107315D+01 -0.801836D+00  0.202864D+01 -0.203897D+01
      3   0.107315D+01 -0.119235D+01  0.191481D+01 -0.203897D+01  0.345239D+01
               181           182           183           184           185 
      1  -0.181305D+01 -0.990116D-01 -0.160734D+01 -0.455067D+00 -0.956127D+00
      2  -0.990116D-01 -0.122048D+01  0.458189D+00 -0.956127D+00  0.138235D+01
      3  -0.160734D+01  0.458189D+00 -0.143477D+01  0.254972D+00 -0.105558D+01
               186           187           188           189           190 
      1   0.254972D+00 -0.272072D+01  0.153227D+00 -0.976127D+00  0.756049D+00
      2  -0.105558D+01  0.153227D+00 -0.138346D+01  0.176621D+01 -0.886350D+00
      3   0.192574D+01 -0.976127D+00  0.176621D+01 -0.517220D+01 -0.956949D+00
               191           192           193           194           195 
      1  -0.886350D+00 -0.956949D+00 -0.232650D+01  0.183082D+01  0.129748D+01
      2   0.746102D+00  0.398707D+00  0.183082D+01 -0.283717D+01 -0.241804D+01
      3   0.398707D+00  0.103037D+01  0.129748D+01 -0.241804D+01 -0.287260D+01
               196           197           198           199           200 
      1  -0.262734D+01  0.955685D+00  0.255805D+01  0.344568D+01 -0.805596D+00
      2   0.955685D+00 -0.257117D+01 -0.255557D+01 -0.805596D+00  0.108675D+01
      3   0.255805D+01 -0.255557D+01 -0.462189D+01  0.182767D+01 -0.588396D+00
               201           202           203           204           205 
      1   0.182767D+01 -0.172316D+01  0.164328D+01 -0.784839D+00  0.474048D+01
      2  -0.588396D+00  0.164328D+01 -0.110246D+01  0.635824D+00 -0.102107D+01
      3   0.165025D+01 -0.784839D+00  0.635824D+00 -0.140052D+01  0.254729D+01
               206           207           208           209           210 
      1  -0.102107D+01  0.254729D+01  0.403942D+01  0.262114D+01 -0.902258D+00
      2   0.129188D+01 -0.132463D+01  0.262114D+01  0.229945D+01 -0.760869D+00
      3  -0.132463D+01  0.355491D+01 -0.902258D+00 -0.760869D+00  0.943567D+00
               211           212           213           214           215 
      1   0.596386D+01  0.415922D+01 -0.159229D+01 -0.127003D+01 -0.959442D+00
      2   0.415922D+01  0.527581D+01 -0.152442D+01 -0.959442D+00 -0.130498D+01
      3  -0.159229D+01 -0.152442D+01  0.124649D+01  0.164061D+01  0.731251D+00
               216           217           218           219           220 
      1   0.164061D+01  0.136097D+01  0.173805D+00  0.172610D+01 -0.638394D+00
      2   0.731251D+00  0.173805D+00  0.102288D+01  0.170253D-01  0.599138D+00
      3  -0.109922D+01  0.172610D+01  0.170253D-01  0.227258D+01 -0.572949D+00
               221           222           223           224           225 
      1   0.599138D+00 -0.572949D+00  0.233880D+01  0.478936D-01  0.216963D+01
      2  -0.362182D+00  0.547274D+00  0.478936D-01  0.114115D+01 -0.172709D+00
      3   0.547274D+00 -0.172204D+01  0.216963D+01 -0.172709D+00  0.608281D+01
               226           227           228           229           230 
      1  -0.822796D+01  0.517530D+00  0.105038D+01  0.385772D+00 -0.109948D+01
      2   0.517530D+00 -0.202634D+01 -0.804090D+00 -0.109948D+01  0.119807D+01
      3   0.105038D+01 -0.804090D+00 -0.105937D+01 -0.495515D+00  0.101680D+00
               231           232           233           234           235 
      1  -0.495515D+00  0.110978D+01 -0.360713D+00 -0.528583D+00  0.215894D+01
      2   0.101680D+00 -0.360713D+00 -0.196776D-01  0.179215D+00  0.260166D+01
      3   0.990655D-01 -0.528583D+00  0.179215D+00  0.939837D+00  0.104187D+00
               236           237           238           239           240 
      1   0.260166D+01  0.104187D+00  0.287687D+01  0.373994D+01 -0.930119D-01
      2   0.317519D+01  0.678655D-01  0.373994D+01  0.836220D+01 -0.131988D+00
      3   0.678655D-01  0.787267D+00 -0.930119D-01 -0.131988D+00  0.812360D+00
               241           242           243           244           245 
      1  -0.860258D+00 -0.711452D+00  0.804821D+00  0.209278D+00 -0.423121D+00
      2  -0.711452D+00 -0.166715D+01  0.662686D+00 -0.423121D+00 -0.535961D+00
      3   0.804821D+00  0.662686D+00 -0.240124D+00  0.163430D+01 -0.109612D+00
               246           247           248           249           250 
      1   0.163430D+01 -0.439213D+00 -0.972495D+00 -0.100406D+00  0.293179D+01
      2  -0.109612D+00 -0.972495D+00  0.288626D+00  0.766182D+00 -0.532200D-01
      3  -0.118572D+01 -0.100406D+00  0.766182D+00  0.571969D-01 -0.198756D+01
               251           252           253           254           255 
      1  -0.532200D-01 -0.198756D+01  0.789418D+01 -0.759397D+00 -0.123649D+01
      2   0.123926D+01  0.505160D-01 -0.759397D+00 -0.350213D+01 -0.356934D-01
      3   0.505160D-01  0.625010D+01 -0.123649D+01 -0.356934D-01 -0.105345D+01
               256           257           258           259           260 
      1  -0.577951D+01 -0.419503D+01 -0.588445D+00 -0.418710D+01 -0.788582D+00
      2  -0.419503D+01  0.158125D+01 -0.247545D+01 -0.788582D+00 -0.339571D+01
      3  -0.588445D+00 -0.247545D+01  0.495590D+00 -0.125507D+01  0.113761D+01
               261           262           263           264           265 
      1  -0.125507D+01 -0.102415D+01  0.153801D+01  0.632643D-01  0.154489D+01
      2   0.113761D+01  0.153801D+01 -0.207802D+01  0.368449D-01 -0.267651D+01
      3   0.386352D+01  0.632643D-01  0.368449D-01 -0.291556D+00  0.162315D+00
               266           267           268           269           270 
      1  -0.267651D+01  0.162315D+00 -0.718365D+00  0.128670D+01 -0.426436D+00
      2   0.891050D+01 -0.319168D+00  0.128670D+01 -0.366029D+01  0.110084D+01
      3  -0.319168D+00  0.124032D+01 -0.426436D+00  0.110084D+01 -0.328955D+00
               271           272           273           274           275 
      1  -0.186885D+00  0.130612D+00 -0.600528D+00  0.562093D+00  0.277046D+00
      2   0.130612D+00  0.640308D+00  0.170279D+00  0.277046D+00 -0.541516D+00
      3  -0.600528D+00  0.170279D+00  0.381726D+00 -0.473707D-01 -0.578605D+00
               276           277           278           279           280 
      1  -0.473707D-01 -0.216485D+01 -0.560209D+00 -0.553230D+00 -0.147173D+02
      2  -0.578605D+00 -0.560209D+00 -0.178860D+01 -0.141616D+01 -0.197373D+01
      3  -0.735178D+00 -0.553230D+00 -0.141616D+01 -0.568366D+01  0.421678D+00
               281           282           283           284           285 
      1  -0.197373D+01  0.421678D+00  0.902215D+00 -0.904864D+00  0.804378D-01
      2  -0.155300D+01 -0.571783D-01 -0.904864D+00 -0.164207D+00  0.300609D+00
      3  -0.571783D-01 -0.997859D+00  0.804378D-01  0.300609D+00  0.834744D-01
               286           287           288           289           290 
      1   0.167467D+01  0.376756D+00 -0.122429D+01  0.317683D-01 -0.665319D+00
      2   0.376756D+00  0.615236D+00 -0.268123D+00 -0.665319D+00  0.209031D+01
      3  -0.122429D+01 -0.268123D+00 -0.137233D-01  0.502636D+00 -0.259279D+00
               291           292           293           294           295 
      1   0.502636D+00 -0.116011D+01 -0.508224D-01  0.155030D-01  0.139665D+01
      2  -0.259279D+00 -0.508224D-01 -0.713763D+01  0.163948D+01  0.393995D+00
      3   0.461418D+00  0.155030D-01  0.163948D+01 -0.131511D+01  0.360031D-01
               296           297 
      1   0.393995D+00  0.360031D-01
      2   0.294850D+01 -0.148835D+01
      3  -0.148835D+01  0.835623D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.261123D+01  0.190540D+01  0.223147D+01  0.922659D+01  0.151280D+01
      2   0.630433D+01 -0.135506D+01  0.335043D+01 -0.203619D+01 -0.653788D+00
      3   0.136860D+02 -0.174914D+01 -0.728168D+00  0.104862D+02 -0.299997D+00
                 6             7             8             9            10 
      1  -0.214102D+01 -0.659294D+00  0.246090D+01  0.379591D+00 -0.412822D+01
      2  -0.244391D+00 -0.855944D+01  0.511666D+00 -0.735834D+00 -0.150930D+02
      3  -0.535470D+01 -0.130659D+02 -0.188614D+01  0.551960D+00 -0.285861D+02
                11            12            13            14            15 
      1  -0.614780D+00  0.154986D+01  0.168971D+01  0.470903D+00 -0.101987D+02
      2  -0.131457D+00 -0.314838D+01  0.240524D+01 -0.219401D+01  0.114079D-01
      3  -0.129542D+00  0.769456D+00  0.100398D+02 -0.169934D+01  0.286544D+00
                16            17            18            19            20 
      1  -0.348856D+01 -0.258501D+01 -0.701445D+00 -0.285840D+01 -0.832804D+00
      2  -0.248227D+02 -0.286184D+01 -0.336515D+01 -0.770731D+01  0.164944D+00
      3   0.247768D+01  0.420901D+00  0.286702D+00 -0.121857D+02  0.354428D+00
                21            22            23            24            25 
      1  -0.120883D+01 -0.584608D+01  0.271302D+01  0.852373D+00 -0.404100D+00
      2   0.792170D+01 -0.171129D+01  0.514546D+00 -0.125614D+01 -0.102926D+02
      3  -0.576562D-01  0.119245D+02  0.844508D+00  0.379474D+01 -0.112021D+02
                26            27            28            29            30 
      1   0.329238D+01  0.107965D+01  0.174007D+01 -0.139241D+00 -0.267381D+01
      2   0.597541D+00  0.216041D+01  0.111906D+02  0.105885D+01 -0.401308D+01
      3   0.370090D+01 -0.129377D+01  0.240283D+02  0.300783D-01 -0.104528D+01
                31            32            33            34            35 
      1  -0.336764D+01  0.132663D+01 -0.102520D+02 -0.434330D+01 -0.198437D+01
      2  -0.315794D+00  0.322413D+01  0.130826D+01 -0.268111D+02  0.119686D+01
      3   0.590763D+01  0.395393D+01 -0.578444D+00 -0.593026D+00 -0.371480D+01
                36            37            38            39            40 
      1  -0.128718D+00 -0.116532D+01  0.684266D+00 -0.134866D+01  0.734719D+01
      2  -0.487662D+00 -0.968575D+01 -0.142138D+01  0.538306D+01 -0.872876D+00
      3   0.312404D+01 -0.910937D+01 -0.656807D+00  0.158211D+01  0.134546D+02
                41            42            43            44            45 
      1  -0.255889D+01 -0.303440D+01  0.288598D+01  0.160169D+01 -0.124855D+01
      2  -0.190884D+01  0.159005D+00  0.492505D+01  0.312967D+00 -0.385949D+01
      3   0.399734D+00 -0.378197D+01  0.131066D+02 -0.180585D+01 -0.160470D+01
                46            47            48            49            50 
      1   0.285530D+01 -0.117034D+01  0.168210D+01 -0.713395D+01 -0.192992D+01
      2   0.112601D+02  0.241032D+00  0.105660D+02 -0.120620D+01  0.102453D+01
      3   0.142759D+02 -0.830316D+00  0.691611D+00  0.121289D+02 -0.955976D+00
                51            52            53            54            55 
      1  -0.205002D+01  0.143603D+01  0.233767D+01 -0.478032D+00  0.316807D+01
      2  -0.199739D+01  0.344624D+01 -0.573313D-01  0.578721D+01  0.258995D+01
      3   0.371093D+01  0.116786D+02  0.975216D+00  0.781040D+00  0.151191D+02
                56            57            58            59            60 
      1   0.170511D+01 -0.114509D+01  0.486017D+01  0.395069D+01  0.164858D+01
      2   0.428311D+00 -0.348999D+01  0.125385D+01  0.558025D+01  0.132485D+02
      3   0.660454D+01 -0.105319D+01  0.356376D+02  0.734595D+01 -0.484027D+01
                61            62            63            64            65 
      1  -0.164805D+01  0.627673D+01 -0.168216D+01 -0.431179D+01 -0.111362D+01
      2  -0.221497D+02  0.137597D+02 -0.580863D+01  0.758151D+01 -0.267741D+01
      3  -0.705019D+01 -0.598906D+01 -0.899925D+01 -0.163553D+02 -0.175188D+02
                66            67            68            69            70 
      1  -0.148962D+01 -0.242141D+01 -0.834313D+00 -0.464570D-01  0.182051D+01
      2   0.140808D+02 -0.708422D+01 -0.582956D+01 -0.161890D+02  0.105753D+02
      3   0.476813D+01 -0.269099D+02 -0.528589D+01  0.536098D+01  0.920243D+01
                71            72            73            74            75 
      1   0.693579D+01 -0.516399D+00  0.164557D+01  0.197204D+01 -0.380092D+00
      2  -0.154531D+02  0.154064D+02 -0.856014D+01  0.515552D+01 -0.132811D+02
      3   0.771674D+01  0.150217D+02  0.848812D+01  0.164134D+02 -0.664732D+01
                76            77            78            79            80 
      1   0.359298D+01  0.868987D+00 -0.488450D+01 -0.139305D+00 -0.146481D+01
      2   0.610418D+01  0.128557D+02  0.212665D+02 -0.263309D+02  0.210817D+02
      3   0.336025D+02  0.105621D+02 -0.166259D+02 -0.667628D+01 -0.146993D+02
                81            82            83            84            85 
      1  -0.229962D+01  0.286497D+01 -0.422216D+01  0.460808D+01 -0.585437D+01
      2  -0.161867D+01 -0.133286D+02  0.610182D+01 -0.272204D+01  0.810618D+01
      3  -0.203749D+02  0.205911D+02  0.468165D+01 -0.714436D+01  0.124194D+02
                86            87            88            89            90 
      1  -0.938306D+01 -0.654459D+01  0.580741D+01 -0.696108D+00  0.837955D+01
      2   0.984551D+01  0.903033D+01 -0.833321D+01  0.830180D+01 -0.956467D+01
      3   0.736867D+01 -0.546759D+01 -0.843051D+01 -0.893150D+01 -0.124912D+02
                91            92            93            94            95 
      1   0.650436D+00  0.723385D+00  0.180966D+01  0.173832D+01 -0.823647D+00
      2  -0.396097D+01 -0.328936D+01  0.860899D+00  0.749601D+00 -0.872982D+01
      3   0.994386D-01  0.138471D+01  0.256568D+01  0.319498D+02 -0.103235D+02
                96            97            98            99           100 
      1  -0.322991D+01  0.234045D+01  0.456683D+01 -0.176468D+01 -0.945598D+00
      2   0.416299D+00 -0.156724D+02  0.169904D+01  0.166094D+02  0.484108D+01
      3   0.514581D+01 -0.254903D+01  0.934950D+01 -0.239357D+01  0.104162D+02
               101           102           103           104           105 
      1  -0.595326D+01 -0.326328D+01 -0.190542D+01  0.544286D-01  0.959727D+00
      2   0.454831D+00  0.376517D+01 -0.195257D+01  0.764806D+01  0.625296D+01
      3  -0.141845D+02 -0.166476D+01 -0.887591D+01  0.331573D+01 -0.302335D+01
               106           107           108           109           110 
      1  -0.619708D+01 -0.120493D+01 -0.424295D+01  0.404784D+01  0.367765D+01
      2  -0.600001D+01  0.579863D+01 -0.239075D+02  0.858510D+01 -0.120548D+01
      3  -0.628319D+01  0.770476D+01 -0.364247D+01 -0.312505D+01 -0.398984D+01
               111           112           113           114           115 
      1   0.277340D+01  0.780418D+00  0.545452D+00 -0.320621D+01  0.345393D+01
      2   0.887971D+01  0.307257D+00  0.594496D+01 -0.522242D+01  0.705815D+01
      3  -0.848864D+00 -0.982763D+00  0.322391D+01 -0.637793D+01  0.101417D+02
               116           117           118           119           120 
      1   0.869482D+01  0.109329D+02 -0.328601D+01  0.220077D+01 -0.472636D+00
      2  -0.426164D+01  0.363413D+02 -0.543090D+01  0.136347D+01  0.962131D+00
      3  -0.179418D+02  0.405556D+01  0.284636D+00  0.709241D+01  0.166080D+01
               121           122           123           124           125 
      1   0.250247D+00 -0.420800D+01 -0.377728D+01 -0.213239D+01  0.612385D+01
      2  -0.600570D+00 -0.102760D+02 -0.196196D+01 -0.206043D+01 -0.505303D+01
      3   0.732245D+01 -0.682950D+01  0.913737D+01 -0.364523D+01  0.164855D+02
               126           127           128           129           130 
      1  -0.809223D+01  0.206964D+01  0.200701D+01  0.189751D+01 -0.954359D+00
      2  -0.104635D+02 -0.572456D+01 -0.138238D+00 -0.946413D+00  0.145142D+01
      3   0.608871D+01 -0.305316D+01 -0.138026D+01 -0.176939D+01  0.235083D+01
               131           132           133           134           135 
      1  -0.572654D-01 -0.205423D+01  0.257320D+01  0.291213D+01  0.468757D+01
      2  -0.757643D-01 -0.114484D+00 -0.405726D+01 -0.153725D+00  0.145285D+01
      3   0.213578D+00  0.420422D+00 -0.264863D+01 -0.194186D+01 -0.190123D+01
               136           137           138           139           140 
      1   0.170925D+01 -0.168207D+01 -0.200564D+01  0.519589D+00  0.275569D-01
      2   0.470909D+01  0.314934D-01 -0.137858D+01 -0.429265D+00 -0.111212D+00
      3   0.152900D+01 -0.701819D+00 -0.159130D+01  0.989737D+00 -0.437475D-01
               141           142           143           144           145 
      1  -0.207752D+01 -0.186090D+01  0.380775D+01  0.513136D+01 -0.253170D+01
      2   0.346294D+00 -0.477941D+01 -0.159147D+00 -0.928281D+00 -0.783467D+01
      3  -0.165407D+00 -0.142447D+01  0.162515D+01  0.184745D+01  0.254239D+01
               146           147           148           149           150 
      1   0.264489D+01 -0.143229D+01  0.413763D+00 -0.420958D+00 -0.109744D+01
      2   0.123663D+01 -0.132648D+01  0.114652D+01 -0.147566D+00  0.297618D+00
      3  -0.150605D+01  0.137859D+01  0.413926D+00  0.429011D+00 -0.133137D+00
               151           152           153           154           155 
      1  -0.183470D+01  0.341765D+01 -0.334405D+01 -0.195702D+01 -0.158545D+01
      2  -0.391416D+01  0.122240D+00  0.130619D+01  0.469088D+01  0.434937D+00
      3   0.151062D+01 -0.220344D+01  0.192024D+01 -0.139589D+01 -0.780640D+00
               156           157           158           159           160 
      1   0.131751D+01  0.300355D+00 -0.111219D+00 -0.184668D+01  0.259763D+01
      2  -0.880016D+00 -0.165188D+00 -0.279302D+00  0.427810D-01 -0.436794D+01
      3   0.120752D+01  0.143130D+01  0.210168D+00 -0.152847D+00  0.190815D+01
               161           162           163           164           165 
      1   0.376902D+01 -0.518460D+01 -0.960086D+00 -0.117849D+00  0.134166D+01
      2  -0.357350D+00 -0.228736D+01 -0.487035D+01  0.142623D+01  0.412568D+01
      3   0.184133D+01 -0.171937D+01 -0.230343D+00 -0.419406D+01 -0.593650D-01
               166           167           168           169           170 
      1   0.503976D+00 -0.116683D+01 -0.343440D+01  0.257457D+01 -0.820438D+00
      2   0.222518D+01 -0.793261D+01 -0.710927D+01  0.574698D+01 -0.931284D+01
      3  -0.319426D+01  0.102231D+02  0.529443D+01  0.394196D+01  0.937566D+01
               171           172           173           174           175 
      1  -0.373415D+01  0.168587D+01 -0.201401D+00  0.188683D+01 -0.124779D+01
      2  -0.941663D+01  0.598972D+01 -0.247616D+01  0.610751D+01 -0.156786D+01
      3   0.516536D+01 -0.417793D+00 -0.510018D+01  0.637260D+00 -0.245908D+01
               176           177           178           179           180 
      1   0.824402D+00 -0.301947D+01  0.193201D+01 -0.423375D+00  0.494709D+01
      2   0.319502D+01 -0.467210D+01  0.278116D+01 -0.730575D+01  0.127881D+02
      3   0.399568D+01 -0.222243D+01 -0.271711D+01 -0.620161D+01  0.408027D+01
               181           182           183           184           185 
      1   0.248346D+01  0.147815D+01  0.137462D+01  0.591205D+00 -0.562063D+00
      2  -0.102721D+02  0.158204D+01 -0.647098D+01  0.111059D+01 -0.486624D+01
      3  -0.225176D+01  0.367697D+01 -0.278084D+01  0.574090D+01 -0.539437D+01
               186           187           188           189           190 
      1  -0.192128D+01  0.149970D+01  0.177590D+01  0.295501D+01  0.116577D+01
      2   0.714432D+01 -0.970489D+01  0.671453D+01 -0.208330D+02 -0.478847D+01
      3   0.428953D+01 -0.301885D+01  0.491735D+01 -0.818561D+01  0.474014D+01
               191           192           193           194           195 
      1  -0.935893D+00 -0.298113D+00 -0.144269D+01  0.381127D+01  0.998930D+00
      2   0.156772D+01  0.564076D+01  0.378388D+01 -0.117806D+02 -0.155908D+02
      3  -0.500342D+01 -0.255877D+01 -0.751691D+01  0.158290D+02  0.128692D+02
               196           197           198           199           200 
      1  -0.108610D+01  0.466597D+01  0.211348D+01  0.124697D+00 -0.284678D-01
      2   0.920416D+01 -0.135484D+02 -0.233940D+02  0.121051D+02 -0.393927D+01
      3  -0.427996D+01  0.146529D+02  0.139001D+02  0.476889D+01 -0.731679D+01
               201           202           203           204           205 
      1   0.491137D+00 -0.669001D+00 -0.540833D-01 -0.114584D+01 -0.222350D-01
      2   0.119304D+02 -0.494063D+01  0.449943D+01 -0.914297D+01  0.141310D+02
      3   0.355046D+01 -0.730109D+01  0.646434D+01 -0.344377D+01  0.548291D+01
               206           207           208           209           210 
      1   0.146532D+01  0.678714D+00 -0.184940D+01 -0.188770D+01 -0.526603D+00
      2  -0.813094D+01  0.225736D+02 -0.170235D+01 -0.224203D+01  0.638187D+01
      3  -0.822975D+01  0.760219D+01 -0.123818D+02 -0.139057D+02  0.410051D+01
               211           212           213           214           215 
      1  -0.226244D+01 -0.426818D+01 -0.140436D+01 -0.400872D-02  0.171781D+01
      2  -0.408336D+01 -0.548476D+01  0.683129D+01  0.680305D+01  0.300337D+01
      3  -0.184138D+02 -0.292301D+02  0.782161D+01  0.467088D+01  0.738235D+01
               216           217           218           219           220 
      1   0.337422D+00 -0.331758D+01  0.177962D+01 -0.415827D+01  0.138964D+01
      2  -0.488697D+01  0.472672D+01  0.246227D+00  0.775653D+01 -0.484566D+00
      3  -0.335841D+01  0.535803D+00 -0.462925D+01  0.209295D+01 -0.184800D+01
               221           222           223           224           225 
      1  -0.215546D+01  0.271582D+01 -0.397600D+01  0.447172D+01 -0.116117D+02
      2   0.145967D+01 -0.657161D+01  0.236999D+01 -0.745017D+00  0.202900D+02
      3   0.274339D+01 -0.242585D+01  0.308681D+01 -0.505904D+01  0.327565D+01
               226           227           228           229           230 
      1  -0.331049D+01 -0.984374D+00  0.233021D+01 -0.370941D+00  0.446591D+00
      2   0.139436D+02 -0.281610D+01 -0.332999D+01 -0.187740D+01  0.154750D+01
      3  -0.209027D+02  0.579423D+01  0.486380D+01  0.614929D+01 -0.493210D+01
               231           232           233           234           235 
      1  -0.430913D+00  0.244008D+01  0.144203D+01 -0.153668D+01  0.172303D+01
      2  -0.420349D-01 -0.583852D+01  0.372867D+00  0.311736D+01 -0.113593D+01
      3  -0.117976D+01  0.386474D+01 -0.130150D+00 -0.186283D+01 -0.566482D+01
               236           237           238           239           240 
      1   0.276704D+01 -0.283620D+01  0.411104D+01  0.720682D+01 -0.436631D+01
      2  -0.154985D+01  0.397005D+01 -0.300225D+01 -0.344480D+01  0.407292D+01
      3  -0.922938D+01 -0.264687D+00 -0.545417D+01 -0.257731D+02  0.612910D-02
               241           242           243           244           245 
      1  -0.201516D+01 -0.133501D+01  0.139288D+01  0.394946D+00 -0.606132D+00
      2   0.247846D+01  0.259319D+01 -0.123037D+01 -0.644115D+01  0.546455D+00
      3   0.127206D+01  0.549357D+01 -0.113239D+01 -0.967359D+00 -0.223741D+01
               246           247           248           249           250 
      1  -0.706601D+00 -0.402561D+00  0.782344D+00 -0.304557D+00 -0.118115D+01
      2   0.370860D+01  0.315855D+00 -0.157044D+01 -0.145172D+00  0.110119D+01
      3  -0.105362D+01 -0.135665D+01  0.108033D+01  0.213634D+01 -0.120417D+01
               251           252           253           254           255 
      1   0.327913D+01  0.240995D+01 -0.157128D+01  0.527634D+00 -0.282381D+01
      2  -0.272841D+00 -0.195817D+02  0.887393D+01  0.117471D+01  0.699225D+01
      3   0.352643D+01  0.164775D+01 -0.186029D+02 -0.152763D+02  0.184749D+01
               256           257           258           259           260 
      1  -0.134039D+01 -0.588787D+01  0.583207D+00 -0.709705D+00  0.549608D+01
      2   0.404803D+01  0.103225D+02 -0.338864D+01  0.459482D+01 -0.505845D+01
      3  -0.820223D+01  0.129638D+02 -0.922975D+01  0.116009D+01 -0.115868D+02
               261           262           263           264           265 
      1   0.808731D+01  0.857457D+00 -0.117419D+01  0.985131D+00 -0.232156D+01
      2  -0.180801D+02  0.202414D+00 -0.767610D+00  0.895521D+00 -0.983495D+00
      3   0.590329D+01  0.316197D+01 -0.487727D+01 -0.621834D+00 -0.403949D+01
               266           267           268           269           270 
      1   0.687937D+01 -0.389826D+01  0.110402D+01 -0.284622D+01  0.233738D+01
      2   0.253799D+01 -0.439308D+01  0.100636D+01 -0.395454D+01  0.159731D+01
      3   0.267844D+02 -0.745645D+00  0.258992D+01 -0.115717D+02  0.331459D+01
               271           272           273           274           275 
      1  -0.179751D+01 -0.484269D+00  0.933563D+00 -0.240338D+00 -0.150598D+01
      2   0.482630D+01 -0.314101D+00 -0.211126D+01  0.102897D+01  0.239894D+01
      3  -0.412040D-01  0.153892D+01  0.143651D+01  0.117029D+01 -0.216068D+01
               276           277           278           279           280 
      1  -0.176094D+01  0.472421D-01  0.775570D+00 -0.114666D+02  0.773601D+00
      2   0.270992D+01 -0.235532D+01  0.508027D+01  0.232335D+02 -0.330028D+01
      3  -0.192944D+01  0.190330D+01 -0.558949D+01 -0.464622D+01  0.157705D+02
               281           282           283           284           285 
      1   0.751425D-01 -0.229983D+01  0.346807D+00  0.683600D+00 -0.432099D+00
      2   0.238391D+00  0.734322D+01 -0.742947D+00 -0.135031D+01  0.131690D+00
      3  -0.643317D+01 -0.116451D+01 -0.349721D+01  0.820446D+00  0.114816D+01
               286           287           288           289           290 
      1  -0.208309D+01  0.329305D+00 -0.293121D+00  0.141921D+01 -0.414122D+00
      2   0.397812D+01  0.835030D+00  0.368983D+00 -0.228721D+01  0.818104D+00
      3  -0.115877D+01  0.203278D+01  0.756786D+00 -0.434332D+01  0.789061D+01
               291           292           293           294           295 
      1   0.185663D+01 -0.177730D+00  0.387466D+01 -0.504881D+01  0.849503D+00
      2  -0.167444D+01  0.199213D-01 -0.596311D+01  0.477136D+01 -0.204963D+01
      3  -0.204819D+01  0.483141D+01 -0.262692D+02  0.655491D+01 -0.205105D+01
               296           297 
      1  -0.208714D+01  0.242498D+01
      2   0.513022D+01 -0.288194D+01
      3   0.102813D+02 -0.571743D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.817107D+01  0.208862D+01 -0.267130D+02  0.743803D+01 -0.129960D+02
      2   0.497109D+01 -0.225792D+01  0.745574D+01 -0.713361D+01  0.129692D+02
      3   0.319998D+01  0.169298D+00  0.192572D+02 -0.304414D+00  0.267790D-01
      4   0.533210D+01  0.295528D+01  0.311775D+01  0.103404D+02 -0.329315D+01
      5  -0.128588D+02  0.312844D+01 -0.594989D+01  0.386839D+01  0.720429D+01
      6   0.250935D+01  0.380531D+01 -0.324227D+01  0.510528D+01 -0.964374D+01
                 6             7             8             9            10 
      1   0.101039D+02  0.352742D+02  0.261918D+01  0.855730D+01  0.480998D+02
      2  -0.113295D+02 -0.277516D+01 -0.536994D+01  0.256746D+01 -0.196384D+02
      3   0.122563D+01 -0.324991D+02  0.275077D+01 -0.111248D+02 -0.284613D+02
      4   0.657687D+01 -0.349149D+01  0.435262D+01  0.271917D+01 -0.116961D+02
      5   0.210508D+01  0.266798D+01  0.188721D+01 -0.945787D+01 -0.104426D+02
      6   0.139352D+02  0.434077D+01  0.383008D+01  0.273688D+01  0.641882D+01
                11            12            13            14            15 
      1   0.637013D+01 -0.512126D+01  0.722954D+01  0.157056D+01  0.123508D+01
      2  -0.505234D+01  0.114863D+01 -0.123431D+02  0.925858D+01  0.121545D+01
      3  -0.131778D+01  0.397263D+01  0.511354D+01 -0.108291D+02 -0.245054D+01
      4  -0.167677D+00  0.182403D+00  0.217387D+02 -0.552284D+01 -0.118757D+01
      5  -0.642057D+00  0.963454D+01  0.473360D+01 -0.509401D+00 -0.253536D+01
      6   0.152536D+01 -0.722590D+01  0.740949D+00  0.188873D+01  0.511054D+01
                16            17            18            19            20 
      1  -0.964479D+01 -0.619274D+00 -0.217356D+02  0.643916D+01 -0.566711D+01
      2  -0.967692D+00  0.263582D+01  0.919885D-01 -0.207902D+00  0.421398D+01
      3   0.106125D+02 -0.201655D+01  0.216436D+02 -0.623126D+01  0.145314D+01
      4   0.152068D+01 -0.145737D+01 -0.324909D+01 -0.437623D+01 -0.446233D+00
      5  -0.182185D+02 -0.301713D+01  0.664694D+00  0.123604D+02 -0.309982D+00
      6  -0.340257D+00 -0.222890D+01 -0.183908D+01 -0.177492D+01 -0.504960D+01
                21            22            23            24            25 
      1   0.267267D+02 -0.102016D+01 -0.120224D+02 -0.152689D+01 -0.201770D+02
      2  -0.109806D+02  0.248946D+01  0.825692D+01 -0.621174D+01 -0.267502D+01
      3  -0.157461D+02 -0.146930D+01  0.376544D+01  0.773863D+01  0.228521D+02
      4   0.982227D+00  0.122531D+02  0.355150D+01 -0.592014D+01 -0.449428D+01
      5  -0.116532D+02 -0.428622D+01 -0.532487D+01  0.200649D+01  0.675011D+01
      6   0.763143D+01 -0.481795D+01 -0.584498D+01  0.155936D+02 -0.244184D+01
                26            27            28            29            30 
      1   0.111905D+01  0.101542D+02  0.177875D+02 -0.349229D+00  0.236538D+01
      2  -0.303254D+01  0.495591D+01 -0.204660D+01  0.389913D+01  0.175205D+01
      3   0.191349D+01 -0.151101D+02 -0.157409D+02 -0.354990D+01 -0.411742D+01
      4  -0.587913D+01 -0.574098D+00  0.228122D+02  0.147648D+01  0.386839D+00
      5  -0.757813D+00  0.933785D+01  0.323554D+00  0.347825D+00  0.793985D+01
      6   0.606022D+01  0.260665D+00 -0.490226D+00 -0.241798D+01  0.365515D+01
                31            32            33            34            35 
      1  -0.398363D+01  0.248877D+01  0.157853D+01 -0.410439D+01  0.348538D+01
      2   0.581485D+01  0.663437D+01 -0.110624D+01 -0.101336D+01  0.395509D+00
      3  -0.183122D+01 -0.912314D+01 -0.472288D+00  0.511774D+01 -0.388089D+01
      4   0.204306D+02  0.229624D+01  0.181930D+01  0.523683D+00  0.538955D+01
      5   0.767648D+00  0.141610D+01 -0.577070D+00 -0.219646D+02 -0.454926D-01
      6  -0.346663D+01  0.101722D+01  0.299418D+01  0.143612D+01 -0.260340D+01
                36            37            38            39            40 
      1  -0.255583D+02  0.790187D+00 -0.722142D+00 -0.270364D+02 -0.249520D+01
      2   0.141160D+01 -0.848837D+00  0.199017D+01  0.974322D+01  0.139372D+01
      3   0.241467D+02  0.586495D-01 -0.126803D+01  0.172932D+02  0.110148D+01
      4  -0.254286D+01 -0.126186D+01  0.135527D+01  0.369786D+00  0.558821D+01
      5  -0.310746D+00 -0.213452D+02  0.137040D+01 -0.158185D+01  0.245651D+01
      6  -0.332469D+01  0.467355D+01  0.455215D+01  0.445016D+01  0.691717D+01
                41            42            43            44            45 
      1  -0.846363D+01 -0.143142D+01  0.240805D+02 -0.426000D+01  0.127761D+02
      2   0.889794D+01  0.272399D+01  0.269874D+01  0.174468D+01  0.409720D+00
      3  -0.434302D+00 -0.129257D+01 -0.267793D+02  0.251532D+01 -0.131858D+02
      4   0.217182D+01  0.701442D+01  0.590603D+01  0.502828D+01  0.243271D+01
      5   0.442659D+01  0.233073D+01  0.139657D+02  0.766558D+00 -0.913656D+01
      6   0.289885D+01  0.943286D+01  0.462352D+00  0.373079D+01  0.500027D+01
                46            47            48            49            50 
      1  -0.247578D+01 -0.285453D+01  0.238909D+02  0.546385D+01 -0.115686D+02
      2   0.615280D+01  0.429056D+00 -0.826951D+01 -0.281604D+01  0.103574D+02
      3  -0.367702D+01  0.242547D+01 -0.156214D+02 -0.264781D+01  0.121122D+01
      4   0.300250D+01  0.103452D+01 -0.178919D+01  0.324011D+01 -0.291897D+00
      5   0.234428D+02 -0.157017D+01 -0.668279D+01 -0.611290D+01 -0.401351D+01
      6  -0.440458D+01 -0.241414D+01  0.306733D+00 -0.377821D+01  0.719345D+01
                51            52            53            54            55 
      1  -0.118707D+02 -0.265130D+02 -0.435652D+01  0.121991D+02 -0.334182D+02
      2   0.842048D+01  0.294219D+01  0.436543D+01  0.568880D+01  0.157131D+02
      3   0.345024D+01  0.235708D+02 -0.891050D-02 -0.178879D+02  0.177051D+02
      4  -0.541866D+01  0.430404D+01 -0.353695D+01 -0.456925D+00 -0.152149D+01
      5  -0.201203D+00  0.113817D+02 -0.214648D+00  0.881836D+01  0.209085D+01
      6   0.136091D+02 -0.248191D+01  0.509602D+01  0.266482D+01 -0.488872D+01
                56            57            58            59            60 
      1  -0.100938D+02 -0.177129D+01 -0.442138D+02 -0.271057D+02  0.840844D+01
      2   0.609334D+01  0.134797D+01  0.247580D+02  0.119956D+02 -0.587313D+01
      3   0.400048D+01  0.423315D+00  0.194557D+02  0.151101D+02 -0.253531D+01
      4  -0.185680D+02  0.223374D+01 -0.464208D+02  0.645271D+01  0.104502D+02
      5   0.302926D+01 -0.145648D+02  0.642946D+01  0.111245D+02  0.222931D+02
      6  -0.100888D+01  0.522419D+01  0.270074D+01 -0.662623D+01 -0.964975D+01
                61            62            63            64            65 
      1   0.767186D+01  0.788337D+01 -0.114121D+02 -0.354024D+02  0.105607D+02
      2  -0.725451D+00 -0.459114D+01  0.301004D+01  0.240980D+02 -0.517480D+01
      3  -0.694641D+01 -0.329224D+01  0.840206D+01  0.113044D+02 -0.538592D+01
      4   0.198310D+01  0.126363D+02  0.313373D+02  0.129130D+02  0.249089D+02
      5  -0.298886D+02  0.277962D+02 -0.879983D+01  0.248515D+02 -0.557465D+01
      6   0.130956D+02 -0.113258D+02 -0.712380D+00  0.557186D+01 -0.219463D+00
                66            67            68            69            70 
      1   0.274687D+02  0.494232D+02  0.413812D+02 -0.107365D+02  0.268103D+02
      2  -0.131082D+02 -0.207546D+02 -0.178336D+02  0.252991D+01 -0.131811D+02
      3  -0.143605D+02 -0.286685D+02 -0.235476D+02  0.820655D+01 -0.136292D+02
      4  -0.369962D+01  0.443232D+02  0.622095D+01 -0.134595D+02 -0.686794D+01
      5   0.153738D+02 -0.159033D+02 -0.156875D+02 -0.262282D+02  0.269457D+02
      6   0.601244D+01 -0.296268D+01 -0.162339D+01 -0.589359D+01  0.124342D+01
                71            72            73            74            75 
      1  -0.699758D+01  0.352174D+02  0.477555D+02 -0.123038D+02 -0.292481D+02
      2  -0.285526D+01 -0.172957D+02 -0.281429D+02  0.339470D+01  0.137805D+02
      3   0.985284D+01 -0.179217D+02 -0.196126D+02  0.890912D+01  0.154676D+02
      4  -0.147216D+02 -0.244764D+02 -0.172752D+02 -0.357991D+02  0.124210D+02
      5  -0.264731D+02  0.190471D+02 -0.263357D+02  0.138216D+02 -0.240861D+02
      6  -0.508739D+01  0.730919D+01  0.213759D+01  0.621789D+01 -0.943458D+00
                76            77            78            79            80 
      1  -0.248411D+02 -0.433991D+02  0.192146D+02 -0.310165D+02  0.167269D+02
      2   0.634367D+01  0.220791D+02 -0.187542D+01  0.138404D+02 -0.105650D+01
      3   0.184975D+02  0.213200D+02 -0.173392D+02  0.171761D+02 -0.156704D+02
      4  -0.563010D+02 -0.240038D+02  0.307449D+02  0.146756D+02  0.269620D+02
      5   0.191544D+02  0.336543D+02  0.368599D+02 -0.388020D+02  0.376827D+02
      6   0.105235D+02  0.443199D+01 -0.624838D+01  0.593561D+00 -0.550707D+01
                81            82            83            84            85 
      1  -0.360153D+02  0.482599D+02 -0.840719D+01 -0.120734D+02 -0.145868D+02
      2   0.221197D+02 -0.316271D+02 -0.758835D+01  0.147675D+02 -0.922459D+01
      3   0.138956D+02 -0.166328D+02  0.159955D+02 -0.269415D+01  0.238114D+02
      4   0.363686D+02 -0.426700D+01 -0.275196D+02  0.149566D+01 -0.349833D+02
      5  -0.459633D+00 -0.909274D+01  0.386768D+01 -0.170193D+02  0.750806D+01
      6  -0.602318D+01 -0.540062D+01 -0.111478D+00 -0.503041D+01  0.878132D+00
                86            87            88            89            90 
      1  -0.227596D+02 -0.143140D+01 -0.138608D+02 -0.198154D+01 -0.224656D+02
      2  -0.671173D+01 -0.297198D+00  0.170687D+02  0.462579D+01  0.264140D+02
      3   0.294713D+02  0.172859D+01 -0.320790D+01 -0.264425D+01 -0.394837D+01
      4  -0.354160D+02  0.145596D+02  0.379298D+01  0.232988D+02  0.141626D+02
      5   0.117873D+02  0.232086D+02 -0.229615D+02  0.207287D+02 -0.268582D+02
      6   0.592385D+01  0.981729D+01 -0.333445D+01  0.885417D+01 -0.228136D+01
                91            92            93            94            95 
      1   0.122198D+02 -0.469186D+01  0.428818D+00 -0.123566D+02 -0.196873D+02
      2  -0.105568D+02 -0.311214D+01 -0.283733D+01  0.178200D+01  0.485216D+01
      3  -0.166300D+01  0.780399D+01  0.240851D+01  0.105746D+02  0.148352D+02
      4  -0.208098D+02 -0.171948D+02 -0.533942D+01 -0.452055D+02  0.565125D+01
      5  -0.644165D+00 -0.447850D+01 -0.621134D+01 -0.417878D+01 -0.105227D+02
      6  -0.206863D+01 -0.730940D+00 -0.293777D+01 -0.355459D+01 -0.251829D+01
                96            97            98            99           100 
      1  -0.161435D+01 -0.105047D+02 -0.307240D+01 -0.116329D+01 -0.543871D+01
      2   0.128441D+01 -0.465078D+01 -0.268625D+00  0.110548D+02  0.405900D+01
      3   0.329940D+00  0.151555D+02  0.334102D+01 -0.989150D+01  0.137971D+01
      4  -0.106583D+02 -0.915911D+01 -0.208071D+02  0.259703D+00  0.841652D+01
      5   0.197856D+00 -0.101846D+02  0.160569D+01  0.358332D+02 -0.196787D+02
      6   0.986881D+00 -0.208095D+01  0.190981D+01  0.323558D+01  0.551253D+01
               101           102           103           104           105 
      1   0.333225D+01 -0.933079D+01  0.119376D+02  0.785448D+01  0.505300D+01
      2  -0.888980D+00  0.931769D+01 -0.887589D+01 -0.487882D+01 -0.825019D+01
      3  -0.244327D+01  0.131011D-01 -0.306167D+01 -0.297566D+01  0.319719D+01
      4   0.784615D+00  0.555729D+01  0.333587D+01 -0.138374D+02  0.126115D+02
      5   0.495122D+01 -0.722537D+01  0.914235D+00  0.122079D+02  0.135616D+02
      6  -0.437066D+01  0.576517D+01  0.432050D+01 -0.117454D+02 -0.897561D+01
               106           107           108           109           110 
      1  -0.264492D+02  0.571972D+01 -0.859236D+01  0.402703D+02 -0.542013D+01
      2   0.179475D+02 -0.454582D+01  0.119529D+02 -0.257517D+02  0.120755D+01
      3   0.850170D+01 -0.117390D+01 -0.336058D+01 -0.145186D+02  0.421258D+01
      4   0.127717D+02 -0.473239D+01  0.136310D+02 -0.140258D+02  0.158096D+02
      5  -0.267781D+02  0.118286D+02 -0.406320D+02  0.365978D+02 -0.431794D+01
      6   0.105117D+02 -0.149142D+02  0.137178D+02 -0.982540D+01  0.316589D+01
               111           112           113           114           115 
      1   0.263702D+02 -0.383277D+01  0.186143D+01  0.112376D+01  0.420630D+02
      2  -0.190970D+02 -0.634561D+00  0.207111D+01 -0.215651D+00 -0.263967D+02
      3  -0.727315D+01  0.446733D+01 -0.393254D+01 -0.908109D+00 -0.156663D+02
      4  -0.823344D+01  0.160508D+02 -0.670958D+01  0.132107D+02 -0.192390D+02
      5   0.271009D+02 -0.656355D+01  0.131851D+02 -0.103398D+02  0.457528D+02
      6  -0.619413D+01  0.485896D+01 -0.655228D+01  0.133306D+02 -0.117653D+02
               116           117           118           119           120 
      1  -0.127577D+01  0.959890D+01  0.152422D+01 -0.122300D+02 -0.944314D+01
      2  -0.338851D+01 -0.307625D+02 -0.143340D+01  0.149650D+02  0.410860D+01
      3   0.466428D+01  0.211636D+02 -0.908191D-01 -0.273498D+01  0.533453D+01
      4   0.288344D+02 -0.128987D+02 -0.159314D+01 -0.479343D+01  0.684838D+01
      5  -0.116529D+02  0.744858D+02 -0.838892D+01  0.225202D+01  0.443197D+01
      6   0.147201D+02 -0.277926D+02  0.478393D+01 -0.425584D-01 -0.144941D+00
               121           122           123           124           125 
      1  -0.830684D+01 -0.893578D+01 -0.525159D+01 -0.120937D+02 -0.716825D+01
      2   0.130064D+02 -0.311842D+01  0.109723D+02  0.144964D+00  0.212820D+02
      3  -0.469961D+01  0.120542D+02 -0.572071D+01  0.119487D+02 -0.141137D+02
      4  -0.338039D+01  0.267705D+02 -0.196437D+02  0.194025D+02 -0.370325D+02
      5   0.782861D+01 -0.197933D+02 -0.647820D+01  0.108792D+02 -0.137935D+02
      6  -0.494526D+01  0.193710D+02  0.106644D+02 -0.425210D+01  0.158427D+02
               126           127           128           129           130 
      1  -0.479075D+01  0.797612D+00  0.169553D+01 -0.354773D+01 -0.908279D+00
      2  -0.132311D+01 -0.638006D+01 -0.749679D+00 -0.596425D+01  0.144045D+01
      3   0.611386D+01  0.558244D+01 -0.945847D+00  0.951198D+01 -0.532171D+00
      4  -0.117938D+02 -0.553955D+01  0.411856D+01 -0.515108D+01  0.127006D+01
      5  -0.225683D+02  0.166979D+02 -0.288379D+01  0.168910D+02 -0.252282D+01
      6   0.170107D+02 -0.613769D+01  0.390151D+01 -0.678243D+01  0.167946D+01
               131           132           133           134           135 
      1  -0.122273D+01  0.139218D+01 -0.482611D+01  0.432679D+01 -0.200578D+02
      2  -0.432018D+00  0.101784D+01 -0.727611D+01 -0.793398D+00 -0.117567D+02
      3   0.165475D+01 -0.241002D+01  0.121022D+02 -0.353340D+01  0.318146D+02
      4  -0.141910D+01  0.210527D+01 -0.448223D+01  0.412294D+01 -0.642962D+01
      5   0.223210D+01 -0.325086D+01  0.174069D+02 -0.353257D+01  0.254646D+02
      6  -0.113294D+01  0.307363D+01 -0.685144D+01  0.757539D+01 -0.141642D+02
               136           137           138           139           140 
      1  -0.256793D+01 -0.179647D+00  0.592759D+01 -0.499173D+00 -0.126110D+01
      2  -0.546030D+01  0.115768D+00  0.605786D+01 -0.826550D-03 -0.506899D+00
      3   0.802823D+01  0.638790D-01 -0.119855D+02  0.500000D+00  0.176800D+01
      4   0.271224D+01  0.211183D+01 -0.255143D+01  0.433511D+00 -0.169851D+00
      5  -0.112730D+02 -0.630895D+00  0.144195D+02 -0.248310D-01 -0.128713D+01
      6  -0.278325D+01 -0.211611D+01  0.307520D+01 -0.418295D+00 -0.467428D+00
               141           142           143           144           145 
      1   0.754120D+00  0.769041D+01  0.272049D+01 -0.309550D+02  0.410051D+01
      2   0.364570D+00  0.635236D+01 -0.814734D+00 -0.160801D+02 -0.541877D+01
      3  -0.111869D+01 -0.140428D+02 -0.190576D+01  0.470351D+02  0.131826D+01
      4  -0.829579D+00 -0.292462D+01 -0.280041D+01  0.400163D+01  0.197571D+00
      5  -0.176039D+00  0.137008D+02  0.143764D+01 -0.225410D+02  0.114303D+02
      6   0.227296D+01  0.429573D+01  0.706183D+01 -0.118753D+02  0.124255D+01
               146           147           148           149           150 
      1  -0.863353D+00 -0.139646D+01 -0.130870D+01 -0.283426D+00  0.141034D+01
      2   0.728030D+00 -0.409713D+01  0.713499D+00 -0.692450D+00  0.577034D+00
      3   0.135323D+00  0.549359D+01  0.595201D+00  0.975876D+00 -0.198738D+01
      4   0.303162D+01  0.763156D+00  0.160356D+01 -0.114776D+01  0.551064D+00
      5  -0.108546D+01  0.101484D+02 -0.122673D+01  0.201171D+01 -0.187362D+01
      6   0.167023D+01  0.137384D+01  0.220998D+00 -0.715392D+00  0.969946D+00
               151           152           153           154           155 
      1  -0.385317D+01  0.829928D+00 -0.149495D+02  0.497361D+00  0.129170D+01
      2  -0.519650D+01  0.925227D+00 -0.897652D+01 -0.518169D+01 -0.968378D+00
      3   0.904968D+01 -0.175515D+01  0.239260D+02  0.468433D+01 -0.323320D+00
      4   0.144898D+01  0.270626D+01  0.126209D+01 -0.161290D+01  0.215551D+01
      5   0.124082D+02 -0.928887D+00  0.173610D+02 -0.965279D+01  0.411589D+00
      6   0.215150D+01  0.420810D+01  0.378390D+01  0.326211D+01 -0.189257D+01
               156           157           158           159           160 
      1   0.308996D+01 -0.918733D+00 -0.131883D+01  0.133812D+01  0.357873D+01
      2   0.497883D+01  0.449458D+00 -0.445178D+00  0.182354D-01  0.657374D+01
      3  -0.806879D+01  0.469275D+00  0.176401D+01 -0.135636D+01 -0.101525D+02
      4   0.218716D+01  0.112872D+01 -0.498208D+00 -0.931513D+00  0.154925D+01
      5   0.122752D+02  0.471619D+00 -0.172773D+01 -0.448313D+00  0.130567D+02
      6  -0.412902D+01 -0.997749D+00  0.244736D-01  0.172768D+01 -0.368446D+01
               161           162           163           164           165 
      1  -0.165126D+01 -0.236122D+02  0.116015D+02 -0.504270D+01 -0.640137D+01
      2   0.113324D+01 -0.129442D+02 -0.414254D+01  0.653373D+00  0.256844D+01
      3   0.518017D+00  0.365564D+02 -0.745895D+01  0.438933D+01  0.383293D+01
      4  -0.262397D+01 -0.269587D+01 -0.120325D+02  0.144371D+02  0.619800D+01
      5  -0.266891D+00 -0.205766D+02 -0.110129D+02  0.476134D+01  0.848330D+01
      6   0.580668D+01  0.101620D+02  0.511185D+01 -0.228025D+01 -0.274655D+01
               166           167           168           169           170 
      1  -0.380147D+01 -0.318754D+01 -0.339582D+01 -0.209726D+02 -0.569709D+01
      2  -0.217474D+01  0.120531D+02  0.545745D+01  0.912310D+01  0.670072D+01
      3   0.597621D+01 -0.886555D+01 -0.206162D+01  0.118495D+02 -0.100363D+01
      4   0.222988D+02 -0.302711D+02 -0.165095D+02  0.143288D+02 -0.234623D+02
      5   0.776620D+01 -0.150469D+02 -0.128064D+02  0.192692D+02 -0.171916D+02
      6  -0.565227D+01  0.121039D+02  0.102294D+02 -0.904135D+01  0.122335D+02
               171           172           173           174           175 
      1   0.234722D+00  0.169935D+02 -0.367354D+01  0.863726D+01  0.906680D-01
      2  -0.931675D+00 -0.842945D+01 -0.199138D+00 -0.432908D+01 -0.236986D+01
      3   0.696954D+00 -0.856407D+01  0.387268D+01 -0.430818D+01  0.227919D+01
      4  -0.199928D+02 -0.114314D+02  0.142704D+02 -0.832065D+01  0.140538D+02
      5  -0.200312D+02  0.149321D+02 -0.668002D+01  0.130537D+02 -0.575968D+01
      6   0.119782D+02 -0.504698D+01  0.252396D+01 -0.355300D+01  0.372561D+01
               176           177           178           179           180 
      1   0.181573D+01  0.576255D+00  0.200992D+02  0.738440D+00  0.186574D+01
      2   0.317878D+01 -0.212993D+01 -0.100908D+02 -0.269890D+01 -0.342472D+01
      3  -0.499450D+01  0.155368D+01 -0.100084D+02  0.196046D+01  0.155899D+01
      4  -0.149672D+02  0.886142D+01 -0.131266D+02  0.164670D+02 -0.175664D+02
      5   0.839782D+01 -0.907732D+01  0.179318D+02 -0.154520D+02  0.267662D+02
      6  -0.543760D+01  0.739221D+01 -0.657072D+01  0.890078D+01 -0.102975D+02
               181           182           183           184           185 
      1  -0.118896D+02  0.344569D+01 -0.157758D+02  0.137383D+01 -0.153191D+02
      2   0.354409D+01 -0.185513D+01  0.537078D+01 -0.133197D+01  0.880496D+01
      3   0.834550D+01 -0.159056D+01  0.104051D+02 -0.418651D-01  0.651414D+01
      4  -0.200435D+01 -0.557354D+01  0.850685D+00 -0.324126D+01  0.727763D+01
      5  -0.816279D+01  0.137029D+01 -0.538334D+01  0.295941D+00 -0.533016D+01
      6  -0.451156D+01  0.203365D+01 -0.459367D+01  0.172149D+01 -0.576525D+01
               186           187           188           189           190 
      1   0.769105D+01 -0.249240D+02  0.775315D+01 -0.242134D+02  0.996767D+01
      2  -0.344437D+01  0.102404D+02 -0.182514D+01  0.924303D-01 -0.719621D+01
      3  -0.424668D+01  0.146836D+02 -0.592801D+01  0.241210D+02 -0.277146D+01
      4  -0.517122D+01 -0.499416D+00 -0.766202D+01  0.972877D+01 -0.959357D+01
      5   0.124468D+02 -0.159883D+01  0.112572D+02 -0.320276D+02 -0.124093D+02
      6   0.942850D+01 -0.265370D+01  0.784174D+01 -0.134964D+02  0.259629D+01
               191           192           193           194           195 
      1  -0.972980D+01 -0.105335D+02 -0.238579D+02  0.120862D+02  0.659377D+01
      2   0.585525D+01  0.698741D+01  0.148407D+02 -0.738413D+01 -0.921322D+01
      3   0.387455D+01  0.354613D+01  0.901719D+01 -0.470211D+01  0.261945D+01
      4   0.105453D+02  0.560335D+01  0.218579D+02 -0.296340D+02 -0.253666D+02
      5   0.658415D+01  0.151011D+02  0.168775D+02 -0.262522D+02 -0.322287D+02
      6  -0.177083D+01 -0.119283D+01 -0.435225D+01  0.824350D+01  0.818424D+01
               196           197           198           199           200 
      1  -0.249311D+02  0.398949D+01  0.143522D+02  0.458786D+02 -0.109324D+02
      2   0.180543D+02 -0.733569D+01 -0.212260D+02 -0.225925D+02  0.535534D+01
      3   0.687684D+01  0.334620D+01  0.687380D+01 -0.232861D+02  0.557707D+01
      4   0.111366D+02 -0.272565D+02 -0.263464D+02 -0.988388D+01  0.139660D+02
      5   0.323773D+02 -0.276514D+02 -0.503495D+02  0.222350D+02 -0.736436D+01
      6  -0.267152D+01  0.841520D+01  0.771183D+01 -0.531285D+00 -0.690003D+00
               201           202           203           204           205 
      1   0.239301D+02 -0.213206D+02  0.163413D+02 -0.970610D+01  0.558612D+02
      2  -0.112390D+02  0.104952D+02 -0.680453D+01  0.340450D+01 -0.283857D+02
      3  -0.126911D+02  0.108254D+02 -0.953674D+01  0.630160D+01 -0.274755D+02
      4  -0.730042D+01  0.201826D+02 -0.125100D+02  0.737366D+01 -0.117943D+02
      5   0.212005D+02 -0.967923D+01  0.702912D+01 -0.162238D+02  0.314181D+02
      6   0.174147D+00 -0.199025D+00 -0.136240D+01  0.275540D+01 -0.134713D+00
               206           207           208           209           210 
      1  -0.120657D+02  0.271842D+02  0.470481D+02  0.274205D+02 -0.854058D+01
      2   0.496779D+01 -0.159467D+02 -0.206033D+02 -0.111965D+02  0.500310D+01
      3   0.709794D+01 -0.112375D+02 -0.264447D+02 -0.162240D+02  0.353748D+01
      4   0.148913D+02 -0.145230D+02  0.341302D+02  0.311349D+02 -0.979230D+01
      5  -0.149728D+02  0.412280D+02 -0.143389D+02 -0.111117D+02  0.140197D+02
      6   0.240719D+01  0.142247D+00 -0.599792D+01 -0.490250D+01  0.290378D+01
               211           212           213           214           215 
      1   0.572176D+02  0.306260D+02 -0.121730D+02 -0.108139D+02 -0.713477D+01
      2  -0.232791D+02 -0.540412D+01  0.616731D+01  0.682646D+01  0.320171D+01
      3  -0.339385D+02 -0.252218D+02  0.600573D+01  0.398745D+01  0.393306D+01
      4   0.520194D+02  0.612712D+02 -0.177266D+02 -0.118562D+02 -0.148579D+02
      5  -0.216506D+02 -0.188210D+02  0.159142D+02  0.209432D+02  0.912164D+01
      6  -0.934049D+01 -0.115436D+02  0.788177D+01  0.474696D+01  0.698830D+01
               216           217           218           219           220 
      1   0.124780D+02  0.113502D+02 -0.159442D+01  0.113699D+02 -0.709251D+01
      2  -0.764959D+01 -0.979688D+01  0.389472D+01 -0.123067D+02  0.697464D+01
      3  -0.482844D+01 -0.155332D+01 -0.230030D+01  0.936732D+00  0.117870D+00
      4   0.861351D+01  0.295095D+01  0.881100D+01  0.316880D+01  0.496999D+01
      5  -0.132460D+02  0.183626D+02  0.215462D+00  0.234293D+02 -0.644080D+01
      6  -0.404272D+01  0.354022D+01  0.224102D+01  0.508439D+01  0.709326D+00
               221           222           223           224           225 
      1   0.356471D+01 -0.228912D+01  0.152021D+02 -0.220684D+01  0.361556D+01
      2  -0.258731D+01  0.656063D+01 -0.153428D+02  0.502224D+01 -0.235151D+02
      3  -0.977398D+00 -0.427151D+01  0.140649D+00 -0.281540D+01  0.198995D+02
      4  -0.195886D+01  0.381666D+01  0.462699D+01  0.797175D+01  0.193905D+01
      5   0.543702D+01 -0.149890D+02  0.239182D+02 -0.163152D+01  0.518380D+02
      6  -0.171650D+01  0.344619D+00  0.532829D+01  0.443737D+01  0.133579D+02
               226           227           228           229           230 
      1  -0.529189D+02  0.132322D+02  0.117826D+02  0.799204D+01 -0.102285D+02
      2   0.293552D+02 -0.120659D+02 -0.649745D+01 -0.598493D+01  0.101034D+02
      3   0.235637D+02 -0.116637D+01 -0.528518D+01 -0.200711D+01  0.125131D+00
      4  -0.144116D+02 -0.412825D+01 -0.145087D+01  0.190312D+01  0.353837D+01
      5  -0.122346D+01 -0.374331D+01 -0.364144D+01 -0.117337D+01 -0.502113D+00
      6   0.316475D+01 -0.516844D+01 -0.510903D+01 -0.333198D+01  0.187880D+01
               231           232           233           234           235 
      1  -0.384595D+01  0.974274D+01 -0.275703D+01 -0.635739D+01  0.128219D+02
      2   0.240210D+01 -0.513122D+01  0.109378D+01  0.731528D+00  0.256070D+01
      3   0.144385D+01 -0.461152D+01  0.166325D+01  0.562586D+01 -0.153826D+02
      4  -0.995880D+00  0.108770D+01 -0.223624D+01 -0.138059D+01  0.261992D+02
      5  -0.188596D+01  0.143472D+01 -0.448294D+00  0.478254D+01  0.189969D+01
      6   0.164226D+01 -0.344552D+01  0.273426D+01  0.302060D+01  0.162706D+01
               236           237           238           239           240 
      1   0.114298D+02 -0.779908D+00  0.131989D+02 -0.185964D+01 -0.102911D+01
      2   0.704464D+01 -0.120320D+01  0.856416D+01  0.374650D+02 -0.116900D+01
      3  -0.184744D+02  0.198311D+01 -0.217631D+02 -0.356053D+02  0.219811D+01
      4   0.327068D+02  0.210045D+00  0.380210D+02  0.686073D+02 -0.133732D+01
      5   0.236168D+01  0.777628D+01  0.194252D+01  0.169865D+01  0.698574D+01
      6   0.233054D+01  0.375683D+01  0.169527D+01  0.469210D+01  0.678387D+01
               241           242           243           244           245 
      1  -0.505964D+01 -0.131112D+00  0.305296D+01  0.175550D+01  0.118951D+01
      2  -0.873789D+00 -0.616643D+01  0.516100D-01 -0.573447D+01  0.644050D-01
      3   0.593343D+01  0.629755D+01 -0.310457D+01  0.397898D+01 -0.125391D+01
      4  -0.700640D+01 -0.132331D+02  0.663577D+01  0.247567D+01  0.514695D+01
      5   0.741162D+01  0.506307D+01 -0.143811D+01 -0.139899D+02  0.670222D+00
      6   0.374509D+01  0.582570D+01 -0.225419D+01 -0.115551D+01 -0.177990D+00
               246           247           248           249           250 
      1  -0.798371D+01  0.130559D+01  0.140853D+01  0.291968D+00 -0.104408D+02
      2   0.664608D+01  0.299735D+00 -0.162922D+01 -0.132352D+01  0.104979D+02
      3   0.133763D+01 -0.160532D+01  0.220694D+00  0.103155D+01 -0.571614D-01
      4  -0.410975D+00  0.813132D+01 -0.133463D+01 -0.473530D+01 -0.176620D+01
      5   0.130774D+02  0.601103D+00 -0.519741D+01 -0.402764D+00  0.188286D+02
      6   0.100307D+01 -0.138589D+01 -0.617265D+00  0.487894D+01  0.922645D+00
               251           252           253           254           255 
      1   0.508386D+00 -0.415463D+01 -0.813798D+02 -0.882611D+01  0.800506D+01
      2  -0.822008D+00 -0.167987D+02  0.448212D+02  0.141080D+02 -0.584204D+01
      3   0.313622D+00  0.209533D+02  0.365586D+02 -0.528185D+01 -0.216302D+01
      4  -0.854853D+01  0.129880D+01 -0.146584D+02  0.256608D+02  0.287993D+01
      5  -0.793296D-01 -0.444534D+02  0.113117D+02  0.255932D+00  0.922874D+01
      6   0.389969D+01 -0.430679D+01  0.598027D+01  0.115524D+00  0.504993D+01
               256           257           258           259           260 
      1   0.167456D+02  0.328088D+02 -0.510794D+01  0.186633D+02 -0.454839D+01
      2   0.296777D+01 -0.246938D+02  0.108924D+02 -0.525222D+01  0.146241D+02
      3  -0.197133D+02 -0.811504D+01 -0.578442D+01 -0.134111D+02 -0.100757D+02
      4   0.395734D+02  0.693788D+00  0.173268D+02  0.123675D+02  0.237109D+02
      5   0.471690D+01  0.190341D+02 -0.460827D+01  0.108282D+02 -0.793096D+01
      6   0.389398D+01  0.135871D+02 -0.193021D+01  0.467378D+01 -0.374786D+01
               261           262           263           264           265 
      1   0.167139D+02  0.425961D+01 -0.698062D+01  0.562749D+00 -0.404910D+01
      2  -0.608340D+01  0.414034D+01 -0.404051D+01  0.268748D+00 -0.832391D+01
      3  -0.106305D+02 -0.839995D+01  0.110211D+02 -0.831498D+00  0.123730D+02
      4  -0.325190D+01 -0.141928D+02  0.207337D+02 -0.124999D+01  0.240272D+02
      5  -0.285331D+02 -0.597323D+00 -0.547006D-01  0.236971D+01 -0.209583D+00
      6  -0.138368D+02 -0.362977D+00  0.234158D+00 -0.842390D+00  0.603324D+00
               266           267           268           269           270 
      1  -0.111238D+02 -0.141846D+00  0.179514D+01  0.282453D+01 -0.153726D+01
      2   0.404817D+02 -0.220411D+01  0.398884D+01 -0.153335D+02  0.454429D+01
      3  -0.293579D+02  0.234595D+01 -0.578398D+01  0.125090D+02 -0.300702D+01
      4  -0.611868D+02  0.247831D+01 -0.108831D+02  0.259879D+02 -0.753774D+01
      5   0.530039D+00 -0.787187D+01  0.323061D+01 -0.674837D+01  0.227268D+01
      6  -0.109551D+01  0.557774D+01 -0.272996D+01  0.786520D+01 -0.267552D+01
               271           272           273           274           275 
      1   0.450810D+01  0.271013D+01  0.580167D+01 -0.203310D+01 -0.693045D+01
      2  -0.457509D+01 -0.329731D+01 -0.226733D+01  0.575685D-01  0.525705D+01
      3   0.669873D-01  0.587175D+00 -0.353434D+01  0.197553D+01  0.167340D+01
      4   0.252260D+00 -0.327055D+01  0.105040D+01 -0.162899D+01  0.230617D+01
      5   0.343204D+01 -0.471677D+00 -0.316360D+00  0.533302D+00  0.367225D+01
      6   0.177307D+01 -0.113230D+01 -0.164517D+01  0.139817D+00  0.248350D+01
               276           277           278           279           280 
      1  -0.233142D+01  0.122535D+02 -0.315915D+01 -0.123199D+02  0.126414D+03
      2   0.156767D+01 -0.570525D+01  0.387637D+01 -0.309619D+01 -0.597827D+02
      3   0.763752D+00 -0.654823D+01 -0.717214D+00  0.154161D+02 -0.666318D+02
      4   0.356542D+01  0.927631D+01  0.128441D+02  0.872331D+01  0.472669D+02
      5   0.520631D+01  0.783395D+01  0.999197D+01  0.405065D+02 -0.486230D+01
      6   0.624984D+01  0.225735D+01  0.932345D+01  0.224270D+02 -0.208934D+01
               281           282           283           284           285 
      1   0.116920D+02 -0.505736D+01 -0.695765D+01  0.690897D+01  0.639409D+00
      2  -0.977890D+00  0.277055D+01  0.626631D+01 -0.134237D+01 -0.151869D+01
      3  -0.107141D+02  0.228681D+01  0.691344D+00 -0.556660D+01  0.879284D+00
      4   0.203971D+02 -0.827120D+00  0.104977D+02  0.326988D+01 -0.236147D+01
      5   0.204435D-01  0.127941D+02 -0.357033D+00 -0.259169D+01 -0.168194D+00
      6   0.264347D+00  0.380403D+01 -0.241048D+00 -0.123260D+01  0.740048D+00
               286           287           288           289           290 
      1  -0.128270D+02 -0.761513D+00  0.905957D+01  0.241112D+00  0.129796D+02
      2   0.612969D+01 -0.155166D+01 -0.559674D+01  0.227240D+01 -0.140255D+02
      3   0.669731D+01  0.231317D+01 -0.346282D+01 -0.251351D+01  0.104587D+01
      4  -0.621890D+01 -0.511472D+01  0.427478D+01  0.268321D+01 -0.776492D+01
      5   0.147598D+02  0.242753D+01 -0.816269D+00 -0.305341D+01  0.139781D+01
      6   0.391242D+01  0.201434D+01  0.418689D+00 -0.243619D+01  0.191514D+01
               291           292           293           294           295 
      1  -0.479694D+01  0.952971D+01 -0.292610D+02  0.654654D+01 -0.817712D+01
      2   0.356168D+01 -0.453397D+01  0.461833D+02 -0.955009D+01  0.280682D+01
      3   0.123526D+01 -0.499574D+01 -0.169223D+02  0.300355D+01  0.537030D+01
      4  -0.491970D+00  0.767787D+01  0.432497D+02 -0.102080D+02 -0.689267D+01
      5  -0.274023D+01 -0.776435D+00 -0.124413D+02  0.925458D+01  0.108540D+01
      6  -0.295752D+01 -0.385039D+00 -0.101994D+02  0.878298D+01 -0.802140D-01
               296           297 
      1   0.866734D+01 -0.829795D+01
      2  -0.140767D+02  0.718207D+01
      3   0.540937D+01  0.111588D+01
      4  -0.192412D+02  0.832746D+01
      5   0.103514D+02 -0.556552D+01
      6   0.101584D+02 -0.611735D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.625364D+00      0.158952D+01      0.530205D+01
   x          0.403531D+00      0.102567D+01      0.342128D+01
   y         -0.196659D-02     -0.499856D-02     -0.166734D-01
   z          0.477743D+00      0.121430D+01      0.405048D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159665D+03      0.236599D+02      0.263252D+02
   aniso      0.727000D+02      0.107730D+02      0.119866D+02
   xx         0.206967D+03      0.306694D+02      0.341243D+02
   yx        -0.463358D+00     -0.686625D-01     -0.763974D-01
   yy         0.126884D+03      0.188023D+02      0.209204D+02
   zx         0.201432D+00      0.298491D-01      0.332116D-01
   zy        -0.506065D-01     -0.749910D-02     -0.834388D-02
   zz         0.145143D+03      0.215079D+02      0.239308D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.166603D+03      0.246880D+02      0.274691D+02
   aniso      0.756841D+02      0.112152D+02      0.124786D+02
   xx         0.215790D+03      0.319768D+02      0.355789D+02
   yx        -0.843035D+00     -0.124925D+00     -0.138998D+00
   yy         0.132326D+03      0.196087D+02      0.218177D+02
   zx         0.605173D+00      0.896774D-01      0.997796D-01
   zy        -0.101837D+00     -0.150907D-01     -0.167907D-01
   zz         0.151693D+03      0.224786D+02      0.250108D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.35628412         -1.49730413          2.94051292
     6          2.05547858         -1.45735212          1.88994254
     6         -2.49559630         -1.25464841          1.43631060
     6         -2.28402527         -0.97930461         -1.16830369
     6          0.12700174         -0.94006781         -2.23444570
     6          2.25550401         -1.17505787         -0.72550377
     6          4.38661432         -1.63331218          3.50856039
     6          5.76038484          0.90865256          3.87786098
     6          8.23505352          0.50956942          5.31042548
     6          4.08696700          2.84472723          5.21320190
     6         -4.62932436         -0.77535690         -2.81412876
     6         -4.50928548          1.67555242         -4.29530484
     8         -3.68433655          1.91738560         -6.40149188
     8         -5.40304324          3.64785327         -2.93738034
     1         -0.56661558         -1.71199336          4.96559337
     1         -4.35100582         -1.28200302          2.30113698
     1          0.33655028         -0.71050606         -4.25671632
     1          4.11015398         -1.14151527         -1.59389629
     1          5.71040603         -2.97437160          2.65930994
     1          3.88575900         -2.39022330          5.36615261
     1          6.21430410          1.64488457          1.99657728
     1          9.46690361         -0.82408225          4.32898339
     1          7.87218885         -0.24112324          7.20146014
     1          9.26344529          2.28478768          5.52844923
     1          3.56913582          2.18017858          7.10114731
     1          2.34634789          3.19316456          4.16726981
     1          5.07367852          4.64345011          5.42982452
     1         -6.26138443         -0.64709785         -1.56188587
     6         -4.93011911         -3.03931338         -4.58658990
     1         -5.17418903          5.15072499         -3.96235958
     1         -3.35193315         -3.14982713         -5.90159305
     1         -6.66586380         -2.88831921         -5.68832980
     1         -4.99305448         -4.77873879         -3.48536316

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.625364D+00      0.158952D+01      0.530205D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.625364D+00      0.158952D+01      0.530205D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159665D+03      0.236599D+02      0.263252D+02
   aniso      0.727000D+02      0.107730D+02      0.119866D+02
   xx         0.181026D+03      0.268252D+02      0.298471D+02
   yx        -0.287663D+00     -0.426272D-01     -0.474292D-01
   yy         0.126883D+03      0.188021D+02      0.209202D+02
   zx         0.305113D+02      0.452131D+01      0.503063D+01
   zy        -0.233752D+00     -0.346385D-01     -0.385405D-01
   zz         0.171086D+03      0.253523D+02      0.282082D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.166603D+03      0.246880D+02      0.274691D+02
   aniso      0.756841D+02      0.112152D+02      0.124786D+02
   xx         0.188503D+03      0.279333D+02      0.310800D+02
   yx        -0.543267D+00     -0.805038D-01     -0.895726D-01
   yy         0.132324D+03      0.196084D+02      0.218173D+02
   zx         0.316993D+02      0.469736D+01      0.522652D+01
   zy        -0.511537D+00     -0.758019D-01     -0.843410D-01
   zz         0.178982D+03      0.265224D+02      0.295101D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-17\Freq\RwB97XD\Gen\C13H18O2\PIERPA\08-Sep-2021\0\\#P
  wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA G
 uess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,0.859135,-0
 .797445,1.307905\C,1.475419,-0.773087,0.059735\C,-0.519198,-0.667837,1
 .430715\C,-1.322882,-0.517669,0.305982\C,-0.712213,-0.493664,-0.948233
 \C,0.663373,-0.61923,-1.065423\C,2.970409,-0.867475,-0.082211\C,3.6534
 27,0.477889,-0.39778\C,5.142776,0.265827,-0.664323\C,3.434072,1.499169
 ,0.716682\C,-2.832871,-0.408434,0.441812\C,-3.28862,0.891062,-0.193882
 \O,-3.674162,1.023041,-1.326622\O,-3.185052,1.931949,0.663544\H,1.4654
 67,-0.914551,2.198032\H,-0.973985,-0.684881,2.413842\H,-1.317893,-0.36
 8693,-1.836932\H,1.116639,-0.598906,-2.049722\H,3.214767,-1.57491,-0.8
 7979\H,3.401771,-1.271409,0.838508\H,3.194988,0.870891,-1.312084\H,5.3
 04831,-0.437524,-1.483935\H,5.641346,-0.134788,0.222807\H,5.634047,1.2
 0549,-0.924389\H,3.868992,1.14405,1.655622\H,2.373464,1.684234,0.88879
 \H,3.908029,2.451247,0.470321\H,-3.064982,-0.34364,1.50555\C,-3.561082
 ,-1.603695,-0.175784\H,-3.441613,2.729075,0.173539\H,-3.37217,-1.65902
 7,-1.246468\H,-4.638896,-1.523016,-0.02823\H,-3.211554,-2.526025,0.287
 996\\Version=ES64L-G16RevA.03\State=1-A\HF=-657.0243949\RMSD=3.320e-09
 \RMSF=8.212e-06\ZeroPoint=0.2841235\Thermal=0.2998215\Dipole=0.4035307
 ,-0.0019666,0.4777434\DipoleDeriv=-0.1484159,-0.026234,0.0716913,-0.01
 29619,-0.1085145,-0.0069548,0.1232563,-0.0169735,0.0442635,0.3415178,0
 .0456169,-0.037999,-0.0064581,-0.0973671,0.0124126,-0.0672727,0.008131
 7,-0.0634555,-0.0604696,0.0028207,-0.0580472,0.0109448,-0.1114543,-0.0
 02284,-0.0197395,-0.0206663,0.091126,0.3022891,-0.0954589,0.0449499,0.
 0056444,-0.1335451,0.0150136,-0.0515067,0.0267952,-0.0817889,-0.095609
 ,0.002114,0.0311894,-0.0009257,-0.1115213,-0.0169195,0.0639678,-0.0165
 491,0.0094274,-0.1279205,-0.02247,-0.0375519,-0.0104085,-0.110709,-0.0
 167675,-0.0941146,0.0007972,0.0883023,0.0341973,-0.0379286,0.0471329,-
 0.1649036,0.0868655,0.0156507,0.0985273,-0.0089892,0.141,0.1192779,0.0
 151562,-0.0266924,0.1670602,0.1227484,0.0160507,-0.0514828,0.0272361,0
 .1118878,-0.0018092,0.0068921,0.0257718,-0.0906614,0.0843007,-0.009759
 ,0.0441695,-0.0224396,0.1186169,0.0193504,0.0206335,0.0594536,-0.02701
 62,0.0212906,-0.0821136,0.0601245,-0.0557385,0.0652334,-0.0272577,0.15
 35401,-0.0789502,0.063811,0.0040473,0.0554323,-0.1460887,0.0730939,0.0
 791825,0.4762197,-0.1958682,0.3409697,-0.5556468,1.3821126,0.2722787,0
 .5162445,0.2878132,1.2919292,-0.525907,0.0513003,-0.2568345,0.2561322,
 -0.659183,0.1386257,-0.3823346,-0.0641233,-0.9481196,-0.3772416,0.0294
 008,-0.0064622,0.1586422,-1.0050788,-0.5074918,0.0092797,-0.3854044,-0
 .6172456,-0.0142904,0.027305,-0.0913706,0.0217993,0.1166605,0.010429,-
 0.0862872,0.0120436,-0.0305014,0.0137486,-0.0028881,0.084961,0.0101914
 ,0.1126385,0.0025121,0.0774943,0.0088198,-0.0546417,0.0369387,0.000585
 1,-0.0641234,0.0139975,0.11653,0.0141588,-0.0754673,0.0128701,0.003112
 ,0.0196857,0.0129668,0.0767636,0.0134044,0.11056,0.0077258,0.0876952,0
 .0066646,-0.0570758,-0.0473808,0.0126629,0.0168045,0.042485,-0.048886,
 -0.0781911,0.0573428,-0.1129482,-0.0478857,-0.0419024,0.0203197,-0.035
 4521,0.0181729,0.0221961,0.0334951,-0.0919919,0.0859866,-0.0853195,-0.
 0327731,0.0336689,-0.0722788,0.0237648,-0.0178947,0.0235465,-0.06786,0
 .0340319,-0.1087941,0.0268148,0.0087857,0.0043073,0.0629553,-0.0367407
 ,-0.1199092,0.0517188,-0.10923,-0.0645122,-0.0096457,0.0179404,-0.0193
 449,0.058491,0.0311008,0.0562855,-0.1098175,0.0717022,-0.0921145,-0.06
 93697,-0.0601175,0.0282805,-0.1268414,-0.1068738,0.0555025,0.0400031,0
 .0368222,0.0536291,0.0275277,0.0218072,-0.0712358,0.0572412,0.0111703,
 0.0879344,-0.0643518,0.0163404,-0.0968836,-0.1219373,0.0591963,0.04421
 43,0.0819333,0.0684437,-0.0129354,0.0381978,-0.0189405,0.0157035,-0.00
 29539,-0.1130852,0.0077254,-0.1121412,-0.1245969,0.0085451,0.0308788,0
 .0486312,0.0402676,0.031547,-0.0153102,-0.0093256,0.0010321,0.0077788,
 -0.0151802,0.0408812,-0.0190248,-0.0892678,0.0114031,-0.0065959,-0.020
 1342,0.05577,0.0578055,-0.0438138,0.0151032,-0.0014569,0.0442108,0.327
 385,0.0119942,-0.0312891,-0.0204326,0.3001204,0.0427655,-0.0586286,0.0
 830813,0.2105371,0.0616209,-0.0123055,0.0575698,-0.0154996,0.0566606,0
 .018451,0.0235334,-0.0375846,-0.0670014,-0.2049201,-0.0282511,0.016763
 2,-0.0125225,0.0475448,-0.0188357,0.0108008,-0.019446,0.0672398,0.0602
 803,0.0618067,-0.0414565,0.0329467,-0.0882095,0.0443399,-0.0222753,0.0
 686537,0.0289385\Polar=206.9674584,-0.4633576,126.8840291,0.2014318,-0
 .0506065,145.1428146\Quadrupole=-0.4392525,1.24101,-0.8017574,-0.37227
 48,-4.8781259,-0.159768\PG=C01 [X(C13H18O2)]\NImag=0\\0.68856233,-0.05
 473808,0.14172080,0.03023742,-0.04144920,0.70200718,-0.16236119,0.0008
 8822,0.10827174,0.63701789,0.00591018,-0.06775335,0.00489555,-0.035873
 65,0.18718576,0.04163153,0.01150912,-0.28252760,-0.00728073,-0.0327978
 9,0.66310073,-0.32796098,0.02692812,-0.01458441,-0.01858553,-0.0031669
 4,0.08236406,0.67657287,0.02356600,-0.06285658,0.00575354,-0.00017563,
 0.00715911,-0.00919378,-0.05162531,0.13909384,0.05072158,-0.00068750,-
 0.13004278,0.03505264,-0.00407157,0.02397596,-0.03289054,-0.03401951,0
 .71674831,-0.03718402,0.00595476,-0.02336801,0.00311282,-0.00048882,-0
 .00570487,-0.18555732,0.01974328,-0.12526200,0.61452758,0.00942979,0.0
 0581082,-0.00026560,-0.00069947,-0.00677730,0.00482496,0.01494717,-0.0
 6841688,0.02404421,-0.04203654,0.18136892,-0.07272648,0.00508811,0.041
 80418,-0.00691915,0.00541446,-0.07124057,-0.05707068,0.01775666,-0.256
 43414,0.01055730,-0.03217101,0.66436967,-0.04540351,0.00226344,0.02995
 445,-0.03788249,0.00960683,-0.07091940,0.06049397,-0.00593266,0.012613
 27,-0.15629310,0.00546798,0.03746602,0.69671004,0.00184545,-0.00717505
 ,-0.00197470,0.00570422,0.00615053,0.00464268,-0.00295403,0.01108994,0
 .00316785,0.00152933,-0.06914709,0.01081926,-0.05750648,0.14457296,0.0
 3180587,-0.00232380,-0.02299019,-0.02375125,-0.00108697,0.04406431,-0.
 03310812,0.00818269,-0.06047942,0.09990012,0.00437997,-0.27745980,0.03
 453654,-0.04241636,0.69707693,0.06103287,-0.00348492,-0.03201415,-0.18
 398991,0.01332963,-0.05192723,-0.05462575,0.00637405,-0.02525302,-0.02
 119319,-0.00238600,0.08287345,-0.33796846,0.02776780,-0.01463007,0.684
 63733,-0.00644136,0.01083821,0.00818933,0.01824187,-0.07178188,0.01620
 136,0.00674772,-0.00820768,0.00317775,0.00096391,0.00784322,-0.0099929
 4,0.02289818,-0.06210125,0.00657351,-0.04985827,0.14082444,0.01176319,
 0.00321103,-0.06001482,-0.11558482,0.02258127,-0.24819604,-0.02453456,
 0.00297839,-0.01317857,0.03431073,-0.00406124,0.02408061,0.05056186,-0
 .00021491,-0.12962502,-0.03679533,-0.03357940,0.70591695,-0.01821572,0
 .00324844,0.00805683,-0.19853541,0.01065252,0.01067307,0.00197460,0.00
 073411,0.00017342,-0.00120495,0.00009044,0.00094066,0.00308475,0.00074
 369,-0.00228485,-0.02652710,0.00393461,-0.00457854,0.48539953,0.000032
 73,0.00539922,0.00013389,0.01863180,-0.07457069,-0.00067961,0.00127082
 ,0.00783709,0.00046851,-0.00056947,-0.00094621,0.00002175,0.00112333,0
 .00567185,0.00119837,0.00409954,0.00318753,-0.00067119,-0.05110883,0.4
 6535365,0.03057732,-0.00147257,-0.00011146,0.00609449,0.00041150,-0.09
 170780,0.00167796,0.00137507,-0.00404447,0.00064298,-0.00004598,-0.001
 81503,-0.00396116,0.00042728,-0.00430621,-0.02627124,0.00117966,0.0074
 7364,0.02182656,0.02236653,0.59423267,-0.00034448,-0.00003767,-0.00210
 773,-0.02239703,-0.02781368,0.00878509,-0.00109885,0.00141125,0.000000
 68,0.00012166,-0.00022017,0.00079207,0.00048416,0.00082437,-0.00006639
 ,-0.00025438,-0.00020160,0.00154047,-0.08473061,-0.03117864,0.00539606
 ,0.48593414,0.00277981,-0.00176318,-0.00146810,-0.01263084,0.00689647,
 0.00028024,-0.00012206,-0.00072102,-0.00026555,0.00055545,0.00009477,-
 0.00035234,-0.00051741,-0.00037277,0.00049449,0.00304748,-0.00077922,0
 .00063587,-0.01975115,-0.13816952,0.01705940,-0.02794753,0.46859953,0.
 00071432,-0.00069892,-0.00014899,0.00521202,0.00182261,-0.00261720,-0.
 00004477,-0.00051039,-0.00044118,-0.00027898,-0.00002050,0.00055297,0.
 00068866,0.00017073,-0.00053250,-0.00239822,0.00075377,0.00027137,0.00
 508252,0.01737741,-0.08018340,0.04389856,-0.02972828,0.54854826,-0.000
 14236,-0.00013559,-0.00024236,-0.00030444,-0.00177314,0.00066007,-0.00
 011037,0.00009795,0.00008317,0.00003460,-0.00002026,0.00005799,-0.0000
 0238,0.00006321,-0.00005339,-0.00000533,-0.00004715,0.00024222,-0.0228
 8750,-0.00405901,0.00430054,-0.17567855,0.01518306,0.01493423,0.464675
 59,-0.00103474,0.00042297,-0.00024751,-0.00085212,-0.00563559,0.001572
 56,-0.00007018,0.00048155,0.00017739,-0.00016575,-0.00002913,0.0000964
 8,0.00005870,0.00029195,-0.00010004,-0.00053538,0.00020202,0.00033921,
 -0.03241538,0.00063619,0.00491481,0.01563475,-0.07879355,-0.00186678,0
 .01787075,0.56890302,0.00041159,-0.00023182,-0.00012970,-0.00030042,0.
 00106248,-0.00003040,-0.00029438,0.00002666,-0.00006605,0.00001774,0.0
 0001727,0.00026211,0.00030481,-0.00024431,-0.00009940,-0.00019736,-0.0
 0022406,-0.00003893,0.01017847,0.00123943,-0.00177111,0.01332211,-0.00
 169730,-0.08103782,0.01307966,0.00180351,0.56041187,0.00017581,-0.0002
 5200,0.00018557,0.00067171,-0.00120168,-0.00086819,-0.00015241,0.00023
 042,-0.00005995,-0.00019574,0.00005260,0.00007941,0.00005560,-0.000017
 87,-0.00001460,-0.00023998,0.00019127,-0.00021230,0.00247976,-0.010373
 42,-0.01146487,-0.08082683,0.00769795,0.00831531,-0.00911229,0.0248430
 2,0.02806649,0.57309814,-0.00054780,-0.00063315,-0.00027413,0.00050127
 ,-0.00082057,-0.00073713,0.00034684,-0.00032801,0.00003462,0.00002405,
 0.00006519,-0.00015946,-0.00018457,0.00007300,-0.00004398,0.00028789,0
 .00007665,0.00047149,0.00040883,-0.02815995,-0.02235070,0.01038260,-0.
 12010684,-0.04877427,0.00563795,-0.00567742,-0.00688699,0.01115929,0.5
 2228572,0.00050962,0.00019492,0.00038217,-0.00075625,0.00014031,0.0003
 9242,-0.00024021,0.00005175,-0.00017854,0.00005220,-0.00001487,0.00013
 325,0.00016206,-0.00004110,0.00000700,0.00000389,-0.00014774,-0.000305
 33,-0.00300430,0.00078170,0.00504422,0.01081005,-0.05007797,-0.1365458
 4,0.00587066,-0.00651157,-0.00741234,0.00466435,-0.05044028,0.50277064
 ,0.00109735,-0.00000677,-0.00232738,-0.00098912,0.00024991,-0.00079554
 ,-0.02726487,0.00366782,-0.00061630,-0.17258506,0.01559322,0.00331487,
 -0.02027114,0.00195746,0.00851669,0.00322904,-0.00090644,0.00178949,0.
 00015224,0.00005349,-0.00000866,-0.00003611,-0.00002050,0.00002334,-0.
 00001023,-0.00001120,0.00000671,-0.00002858,-0.00000119,0.00000124,0.4
 3260844,0.00089852,0.00773297,0.00186295,0.00003633,-0.00102069,0.0001
 1801,0.00651955,0.00341935,-0.00059220,0.00457743,-0.06764040,0.002721
 93,0.00165874,0.00145363,-0.00071538,0.00002801,0.00590000,-0.00041381
 ,-0.00034391,-0.00095745,-0.00009093,-0.00007567,0.00010770,0.00005046
 ,-0.00000699,-0.00005095,0.00002773,0.00000536,0.00002049,0.00000155,0
 .00062746,0.45504722,-0.00209345,0.00093606,-0.00339311,-0.00060263,0.
 00013211,-0.00125234,-0.02471304,0.00131465,0.00553050,0.01819615,-0.0
 0001264,-0.08746212,0.02948461,-0.00217669,0.00247485,0.00179557,0.000
 33116,-0.00547627,0.00006310,-0.00021146,0.00017851,-0.00007767,0.0001
 7747,-0.00007103,-0.00000414,-0.00009841,0.00002232,-0.00000389,-0.000
 03752,0.00002692,-0.02116747,0.01644817,0.60327366,-0.00018033,-0.0013
 1810,-0.00107728,-0.00019424,0.00007104,0.00053897,-0.00366263,0.00025
 434,0.00113677,-0.02226625,0.03021146,-0.01709371,0.00022481,0.0001431
 4,0.00118780,-0.00059732,-0.00044803,-0.00093068,-0.00002967,0.0001846
 3,-0.00000839,0.00001594,-0.00011185,0.00002569,-0.00000639,0.00005674
 ,-0.00000647,-0.00005865,0.00002714,-0.00001001,-0.08676662,0.02101088
 ,-0.00275106,0.31808056,-0.00124913,-0.00088513,-0.00057655,-0.0001971
 3,0.00038564,-0.00051749,-0.00453725,0.00002377,0.00155807,0.02127092,
 -0.00120234,-0.00341229,-0.00299952,0.00036605,0.00087853,-0.00019319,
 -0.00065867,0.00036157,0.00024767,-0.00026327,0.00020398,-0.00005594,0
 .00066242,-0.00008378,-0.00002071,-0.00034130,-0.00003199,-0.00019146,
 -0.00015473,0.00009736,0.01496563,-0.14806446,0.03685507,-0.07224246,0
 .57132509,-0.00064558,0.00018421,-0.00004755,-0.00010476,-0.00032833,-
 0.00017734,0.00148922,-0.00068847,-0.00132030,-0.01108680,-0.00498403,
 0.00236593,0.00357803,-0.00021306,0.00343232,0.00041684,0.00072108,-0.
 00159200,-0.00009284,0.00028216,-0.00034340,0.00019608,-0.00020923,0.0
 0024736,-0.00001094,0.00010636,-0.00004076,-0.00012077,0.00000316,-0.0
 0005068,0.00364619,0.02586902,-0.09148899,0.21686310,-0.05507125,0.878
 19896,-0.00015515,0.00012859,0.00024322,-0.00003191,-0.00005671,-0.000
 20560,0.00041083,0.00003193,-0.00024922,0.00221866,-0.00247247,0.00251
 878,-0.00067859,0.00083320,0.00041797,0.00020362,0.00010596,-0.0002246
 8,0.00005661,-0.00010047,-0.00001485,-0.00001008,0.00009554,-0.0000175
 3,0.00000497,-0.00005387,-0.00000136,0.00003065,-0.00002050,0.00001410
 ,0.01220201,0.00478467,-0.02469592,-0.14589811,0.03673800,-0.19397155,
 0.11573006,0.00025850,0.00039276,0.00009674,0.00006958,-0.00010581,-0.
 00003413,0.00172252,-0.00004044,-0.00050349,-0.00236717,-0.00146794,0.
 00238843,0.00060674,0.00018952,0.00002613,0.00034859,0.00010894,0.0001
 8908,-0.00008528,0.00010671,-0.00009375,0.00003757,-0.00025778,0.00006
 460,0.00000519,0.00012733,0.00000530,0.00004625,0.00005518,-0.00003803
 ,0.01053779,0.00370503,0.03117614,0.03262547,-0.13031997,0.07483484,-0
 .03191578,0.11039997,0.00025763,-0.00051540,-0.00002153,0.00019817,0.0
 0018752,0.00020219,-0.00214941,0.00081784,0.00104595,0.00561635,0.0027
 3139,-0.00348865,-0.00051290,-0.00057509,-0.00254302,-0.00067548,-0.00
 053694,0.00092807,0.00005610,-0.00009398,0.00028803,-0.00010457,0.0001
 8961,-0.00018253,0.00000787,-0.00009157,0.00002334,0.00007050,-0.00001
 965,0.00004042,-0.02010975,0.01110049,-0.02639670,-0.19586810,0.088569
 31,-0.64133702,0.24290388,-0.05950169,0.75315203,0.00014660,0.00011990
 ,0.00019837,0.00008061,-0.00002911,-0.00006618,0.00039594,0.00016291,0
 .00016993,0.00023441,-0.00046732,0.00103400,0.00012494,0.00018099,-0.0
 0084561,0.00018189,0.00008633,0.00013749,0.00002564,-0.00008566,0.0000
 4145,-0.00002854,0.00001021,-0.00003340,0.00001002,-0.00000726,0.00001
 125,0.00008937,-0.00000144,-0.00000291,0.01009833,0.01131269,0.0030992
 5,-0.07057882,0.00717813,-0.01754432,0.02358806,-0.01611215,-0.0268501
 3,0.08803892,0.00058290,0.00038655,0.00009985,0.00005925,-0.00014267,0
 .00012413,0.00104446,-0.00000862,-0.00073660,-0.00479295,-0.00265950,0
 .00085926,0.00081114,-0.00010899,-0.00063329,0.00032060,0.00042575,0.0
 0035193,-0.00011597,0.00014863,-0.00007033,0.00000584,-0.00037807,0.00
 000270,0.00001702,0.00019194,0.00003011,0.00014596,0.00009457,-0.00004
 794,0.00293834,-0.03902106,-0.02129646,0.00189378,-0.21344206,-0.07173
 599,-0.01271223,0.01369117,-0.04906477,-0.09625263,0.57216012,0.000535
 37,0.00008179,0.00006168,0.00002148,-0.00003041,0.00027961,0.00002711,
 0.00007214,-0.00030614,-0.00047593,0.00053671,0.00075982,-0.00001674,-
 0.00026786,-0.00094093,-0.00022048,0.00005561,0.00040245,-0.00002178,-
 0.00000395,0.00004869,-0.00004404,-0.00007825,-0.00005645,0.00000554,0
 .00004062,0.00001744,0.00005735,0.00003262,-0.00000082,-0.00039677,0.0
 0618273,0.00798329,-0.02067867,-0.04560971,-0.15330220,-0.02535550,-0.
 05921746,-0.08065712,0.11432017,-0.06506252,0.38848323,-0.14350660,0.0
 1887985,-0.12528808,0.00934396,-0.00116016,0.01094794,-0.01347044,0.00
 322393,-0.02775759,-0.00484615,0.00107778,0.00204129,-0.00059968,-0.00
 004320,0.00083363,-0.00022805,0.00037697,0.00307737,0.00119658,-0.0008
 5143,0.00117382,-0.00003294,-0.00001029,0.00006847,0.00000155,0.000036
 63,0.00003136,0.00005163,-0.00005846,0.00006674,-0.00052379,0.00040798
 ,-0.00122108,-0.00016584,-0.00069020,0.00026759,-0.00000910,0.00021691
 ,-0.00024598,0.00000898,0.00026572,0.00006961,0.15143916,0.01835633,-0
 .03904972,0.02577042,0.00121711,0.00361400,0.00049767,0.00131921,0.001
 76276,0.00245742,0.00125904,0.00719200,0.00023761,-0.00003929,-0.00057
 472,-0.00015532,0.00030135,0.00602247,0.00025174,-0.00085848,-0.004144
 35,-0.00099752,-0.00052735,0.00055117,0.00048043,-0.00002974,-0.000263
 88,-0.00001920,-0.00001954,0.00014995,0.00001755,-0.00010679,0.0001752
 4,0.00021646,0.00002362,0.00009116,0.00009295,-0.00003909,-0.00003956,
 -0.00007268,-0.00001750,-0.00006319,-0.00000271,-0.02107989,0.02905261
 ,-0.12444541,0.02572533,-0.24301119,-0.01804925,0.00339758,-0.02029527
 ,0.00309961,-0.00054505,0.00552847,0.00117521,0.00025452,0.00182549,0.
 00100618,-0.00013713,-0.00001263,0.00383904,0.00033436,-0.00393903,-0.
 00220480,0.00023294,0.00061571,0.00025025,-0.00003618,0.00005379,0.000
 03909,0.00009689,0.00001280,-0.00005751,-0.00012887,-0.00012417,0.0002
 4917,-0.00004003,0.00009097,0.00003909,-0.00012107,-0.00001390,-0.0000
 4367,0.00005714,-0.00000654,-0.00001395,0.00008544,0.00002296,0.135333
 50,-0.02842710,0.25831573,-0.00870698,-0.00085486,0.03025939,-0.005394
 87,0.00123265,-0.00080842,-0.10599072,0.00044207,0.10407791,0.00901175
 ,0.00051901,-0.01581062,-0.00130441,0.00095295,-0.00330200,-0.00090515
 ,0.00008215,-0.00070082,0.00008218,-0.00004521,0.00129968,-0.00013750,
 0.00024609,0.00000136,-0.00002248,-0.00014310,0.00001387,-0.00002037,-
 0.00002631,0.00003193,0.00153430,-0.00068749,-0.00172172,-0.00004798,0
 .00039777,-0.00022013,0.00005773,-0.00015082,0.00020218,-0.00000987,-0
 .00019638,-0.00001696,0.00096944,-0.00045257,-0.00044473,0.11096872,0.
 00100588,0.00218682,-0.00281121,0.00142984,0.00721034,0.00029263,0.000
 65548,-0.03533825,0.00530980,-0.00154880,0.00354102,0.00303755,0.00097
 643,0.00572381,0.00092702,0.00013895,-0.00053329,0.00003709,-0.0002044
 9,0.00013277,-0.00015811,0.00011275,0.00006158,0.00002330,0.00000457,-
 0.00000563,0.00001745,-0.00005841,0.00001531,-0.00000501,-0.00034091,-
 0.00412366,0.00000049,0.00065111,0.00083047,0.00049203,-0.00006214,-0.
 00032817,0.00000156,-0.00014197,-0.00034895,-0.00025581,-0.00049952,-0
 .00364418,-0.00025621,-0.00143997,0.02513566,-0.00045514,0.00013537,0.
 00077216,0.00013864,0.00027188,0.00210989,0.10289927,0.00553059,-0.283
 60056,0.01317731,0.00027433,-0.02057402,-0.00426287,0.00093641,-0.0027
 0619,-0.00079861,0.00003237,0.00038676,-0.00023337,0.00003200,-0.00012
 112,0.00001560,-0.00008778,-0.00000474,0.00000041,0.00005289,0.0000007
 4,0.00001969,0.00001448,-0.00000945,0.00196296,-0.00056899,0.00036075,
 -0.00007383,0.00002482,-0.00009622,0.00008885,-0.00020738,0.00042956,0
 .00005186,0.00008646,0.00016189,0.00033735,-0.00029618,0.00082059,-0.1
 1238321,-0.00631415,0.30215476,-0.00060853,-0.00005324,0.00089134,-0.0
 0500260,0.00103003,0.00207785,-0.00061949,0.00050381,0.00313666,0.0121
 3603,-0.00160597,0.01097594,-0.14480689,0.01945507,-0.12549101,-0.0132
 3298,0.00351449,-0.02745104,-0.00013820,0.00016170,-0.00136520,-0.0000
 2355,0.00016203,-0.00007272,-0.00001010,-0.00008626,0.00001472,-0.0000
 1608,-0.00001227,0.00002949,0.00016019,-0.00035750,-0.00021116,0.00004
 632,0.00048140,0.00172779,-0.00050649,0.00004617,-0.00065042,-0.000160
 02,-0.00042409,-0.00047346,0.00000867,-0.00010996,-0.00010652,0.000444
 32,-0.00003431,0.00079577,0.15215736,0.00003139,-0.00046594,-0.0001317
 6,0.00123190,0.00766578,0.00039765,0.00037840,0.00581669,0.00019356,0.
 00034376,0.00352315,0.00070666,0.01974551,-0.04101580,0.02793726,0.001
 11688,0.00261246,0.00211867,-0.00008709,0.00012223,0.00015043,-0.00008
 164,-0.00005664,0.00002925,0.00001987,-0.00000423,-0.00000766,-0.00001
 211,-0.00000719,0.00000191,0.00027524,-0.00317840,-0.00010492,0.000357
 20,0.00075256,-0.00195262,-0.00018465,-0.00059087,0.00117302,-0.000035
 72,-0.00020358,0.00031572,-0.00009834,-0.00111350,-0.00007248,0.000040
 68,0.00045922,0.00002204,-0.02180602,0.03029235,0.00092596,-0.00014767
 ,0.00011221,0.00135558,0.00039310,0.00158886,0.00381738,0.00033615,-0.
 00370284,-0.01776230,0.00332607,-0.01965740,-0.12476767,0.02717341,-0.
 24597349,0.00320086,-0.00055646,0.00620828,0.00018234,-0.00002123,0.00
 014828,-0.00002994,0.00002986,-0.00000493,0.00000394,-0.00002116,-0.00
 000426,-0.00000785,-0.00000234,0.00000276,-0.00109978,-0.00034671,0.00
 046665,0.00013327,-0.00042215,-0.00205135,-0.00063157,0.00021284,0.001
 24811,0.00020907,0.00035039,0.00045242,-0.00011571,-0.00007231,0.00000
 192,-0.00086337,0.00018323,-0.00102479,0.13554391,-0.03014641,0.260798
 16,-0.00153587,0.00093370,-0.00336065,0.01088199,0.00029742,-0.0160761
 5,-0.00088943,0.00009564,-0.00068428,-0.00530121,0.00124635,-0.0008596
 1,-0.00949020,-0.00099692,0.03046969,-0.10584198,0.00046651,0.10206780
 ,0.00075584,-0.00074887,-0.00044125,-0.00010830,-0.00001072,-0.0002984
 0,-0.00000773,0.00000970,0.00006002,0.00006530,-0.00001167,0.00001484,
 -0.00019940,0.00018216,0.00139691,0.00023773,-0.00051051,0.00045150,-0
 .00005317,0.00016189,-0.00031394,-0.00002643,0.00014759,-0.00004743,0.
 00046088,0.00000918,-0.00095472,0.00003564,-0.00010834,0.00009310,0.00
 108843,-0.00044621,-0.00037342,0.11031285,0.00089398,0.00582910,0.0010
 7783,-0.00077498,0.00345387,0.00336120,0.00022481,-0.00042897,0.000047
 97,0.00129735,0.00765913,0.00024597,0.00102904,0.00262484,-0.00270601,
 0.00015223,-0.03649463,0.00586168,-0.00120287,-0.00283822,0.00036714,-
 0.00026568,0.00043560,-0.00041233,-0.00002012,-0.00018542,0.00027981,-
 0.00000143,-0.00005586,0.00007286,0.00002488,0.00023849,-0.00010410,0.
 00000604,0.00007360,0.00007520,0.00005027,-0.00007054,-0.00000031,-0.0
 0001388,-0.00006993,-0.00001486,-0.00011178,0.00032807,0.00016670,-0.0
 0012672,-0.00113313,-0.00007488,-0.00054043,-0.00402893,-0.00034663,-0
 .00085042,0.02558309,-0.00412273,0.00093903,-0.00256363,0.01307361,0.0
 0021331,-0.02039746,-0.00082674,0.00000701,0.00034529,0.00018838,0.000
 35626,0.00208720,-0.00046036,0.00024277,0.00063817,0.10231400,0.006078
 59,-0.28300503,0.00155285,-0.00053415,0.00067689,-0.00046142,0.0002823
 4,-0.00037255,-0.00004758,-0.00020994,0.00019970,0.00014471,-0.0001201
 4,0.00007779,-0.00018234,-0.00000606,-0.00010387,-0.00006112,0.0002688
 9,-0.00007896,0.00005631,-0.00010663,0.00007672,0.00000748,-0.00013162
 ,-0.00002078,0.00064124,0.00006615,-0.00109242,0.00009997,-0.00007897,
 -0.00004569,0.00028850,-0.00035222,0.00085847,-0.11147113,-0.00723083,
 0.30176552,-0.00424241,0.00091260,-0.00128267,-0.01121192,0.02061373,0
 .02614136,-0.00054004,-0.00125793,0.00073515,-0.00002606,0.00022710,0.
 00017272,0.00002702,-0.00051417,0.00015173,0.00125934,-0.00091730,0.00
 125810,-0.05790831,0.03800824,0.03838202,0.00166185,-0.00851566,-0.010
 34099,0.00058866,-0.00111162,-0.00111468,-0.00128771,-0.00288449,0.001
 02199,-0.00002798,0.00006330,-0.00014964,0.00005221,-0.00027475,0.0001
 7518,-0.00004378,0.00010738,-0.00016146,-0.00002566,0.00012495,0.00000
 699,0.00004871,0.00045753,0.00009296,-0.00036748,-0.00005173,0.0000667
 7,0.00003382,0.00003463,-0.00003049,0.00012118,0.00036655,-0.00081366,
 0.06862330,0.00034251,-0.00009193,0.00030522,-0.00033082,-0.00037813,-
 0.00090426,-0.00063968,-0.00009017,-0.00020102,-0.00000641,-0.00007587
 ,0.00042391,0.00038575,0.00007304,-0.00000040,-0.00048250,0.00089328,-
 0.00034054,0.03807467,-0.14765928,-0.11815790,0.00411254,-0.02255414,-
 0.02324224,0.00151979,0.00111602,-0.00094813,-0.00333777,-0.00428911,0
 .00331028,0.00000569,0.00002498,0.00006201,-0.00002547,0.00001158,-0.0
 0008087,0.00001297,-0.00000868,0.00005239,0.00001963,0.00000883,0.0000
 1704,-0.00002563,0.00014907,-0.00011977,0.00001632,-0.00001855,0.00001
 256,0.00002380,-0.00002611,-0.00000998,0.00025468,-0.00026883,0.000406
 73,-0.03683635,0.16413003,0.00141968,-0.00046768,0.00014868,0.00251067
 ,-0.00077301,-0.00253612,-0.00024794,0.00036439,-0.00023710,-0.0002175
 2,0.00001656,0.00071501,0.00115010,0.00048598,-0.00019825,-0.00207091,
 0.00090197,0.00022714,0.03797148,-0.11917402,-0.18602702,-0.00075792,0
 .00519659,0.00468268,-0.00001691,0.00046975,0.00032385,0.00051024,0.00
 087938,0.00064531,0.00006500,-0.00021198,0.00004177,0.00000043,0.00006
 470,-0.00005111,0.00003119,-0.00002227,0.00003356,0.00001618,-0.000015
 84,0.00000142,-0.00010672,-0.00029035,0.00040749,0.00008608,-0.0000429
 0,-0.00003073,0.00004014,-0.00004741,-0.00000931,0.00006527,-0.0006531
 5,0.00021586,-0.04575240,0.13078659,0.19981768,0.00165191,-0.00049489,
 -0.00229710,-0.01558269,0.01144081,-0.02918450,-0.00022332,-0.00012746
 ,0.00007821,0.00016795,0.00007520,0.00026919,-0.00022598,-0.00035186,-
 0.00163961,-0.00591786,0.00090414,0.00249506,-0.08538835,0.03630382,-0
 .08027207,0.00441694,-0.00559952,0.01178651,0.00130134,-0.00025123,0.0
 0085369,0.00023450,0.00065550,0.00030857,0.00003213,-0.00001421,0.0000
 3525,0.00003807,-0.00015709,-0.00001221,-0.00004541,0.00005872,-0.0000
 0032,-0.00000776,0.00010120,0.00004074,0.00012812,0.00014098,0.0012384
 6,0.00002050,0.00001473,0.00001380,-0.00047463,-0.00003177,0.00003301,
 0.00013097,0.00018713,0.00004928,0.00270069,-0.00341797,0.00596767,0.0
 9795387,-0.00054746,0.00019097,0.00032890,0.00011946,-0.00124326,0.001
 78102,0.00010190,-0.00010296,-0.00004895,0.00001883,0.00001719,-0.0002
 7815,-0.00041496,0.00023446,0.00030687,0.00028495,0.00096040,-0.000209
 08,0.03789822,-0.07883861,0.07441455,0.01011888,-0.01457742,0.02705759
 ,0.00144012,0.00080815,-0.00024725,0.00098114,0.00163875,0.00135804,-0
 .00001744,0.00003016,0.00000991,-0.00000395,0.00002286,-0.00000321,0.0
 0000310,-0.00000525,0.00000117,0.00000277,-0.00002183,-0.00000910,0.00
 015935,0.00011684,-0.00037139,0.00000321,-0.00004550,0.00000188,0.0000
 1149,-0.00012819,-0.00002390,0.00001925,-0.00013856,0.00017905,-0.0086
 8459,0.00812299,-0.01732434,-0.03738628,0.08692238,0.00194288,-0.00051
 820,0.00045979,0.00158088,-0.00185290,0.00216204,-0.00045966,-0.000301
 54,0.00031208,0.00013627,-0.00006042,0.00028387,0.00035659,0.00010265,
 -0.00000456,0.00017171,0.00035034,0.00037132,-0.08428779,0.07503226,-0
 .22902436,-0.00260228,0.00419415,-0.00777659,-0.00053611,-0.00027007,0
 .00006452,0.00022529,-0.00103045,0.00097830,-0.00000448,0.00009276,0.0
 0003836,0.00000800,-0.00008442,0.00001199,-0.00002807,0.00002658,-0.00
 001184,-0.00001371,0.00004495,0.00001888,-0.00012678,0.00031067,0.0005
 4481,-0.00007037,0.00002007,0.00000862,-0.00000832,-0.00000899,0.00000
 537,0.00022441,-0.00009972,0.00030616,-0.00899966,0.00848961,-0.019958
 45,0.09016247,-0.08592932,0.24880416,-0.00022192,0.00009550,0.00025028
 ,0.00114952,0.00009430,0.00065701,0.00025747,-0.00006870,0.00009007,0.
 00002046,0.00001489,-0.00029079,-0.00030065,0.00009154,0.00010191,0.00
 015427,-0.00008133,-0.00002035,0.00436742,-0.00676936,0.01231117,-0.08
 962126,0.03701536,-0.08602266,-0.01780024,0.01276625,-0.02711265,0.002
 12109,-0.00153304,0.00446279,-0.00000621,-0.00000665,-0.00000275,-0.00
 001174,0.00003096,-0.00003517,0.00001159,-0.00001678,0.00002686,0.0000
 0897,-0.00001393,0.00000299,-0.00000776,0.00001232,-0.00008310,0.00001
 354,0.00000892,-0.00000293,0.00000819,-0.00003017,0.00000211,-0.000206
 81,-0.00030836,-0.00009688,0.00038486,0.00080704,-0.00035195,-0.000848
 36,-0.00289547,0.00118915,0.10311662,-0.00064061,0.00025181,0.00047943
 ,0.00179043,0.00082286,-0.00081380,0.00056566,-0.00003247,0.00008798,-
 0.00002254,0.00002048,-0.00051160,-0.00052512,0.00015442,-0.00007875,0
 .00012436,0.00022418,0.00059242,0.00957812,-0.01482839,0.02615015,0.03
 664145,-0.07873597,0.07366426,0.00252885,-0.00181557,0.00352282,-0.009
 22438,0.00667614,-0.02101110,-0.00000941,-0.00003792,-0.00004916,0.000
 00430,0.00002108,0.00001218,0.00000489,-0.00000765,-0.00000845,-0.0000
 0228,-0.00001704,-0.00000643,0.00003051,-0.00009257,-0.00015060,-0.000
 00884,-0.00002550,0.00000372,-0.00004459,0.00000498,0.00001586,-0.0002
 3669,-0.00028404,-0.00043012,0.00055958,0.00099703,-0.00049985,-0.0026
 6934,-0.00485285,0.00115396,-0.03941241,0.09125593,0.00043555,-0.00006
 728,-0.00038925,-0.00113635,0.00000796,0.00034733,-0.00039606,0.000023
 16,0.00000993,0.00008638,0.00002457,0.00031534,0.00041201,-0.00019466,
 -0.00000961,-0.00001183,-0.00047438,-0.00016748,-0.00197819,0.00454689
 ,-0.00727346,-0.08552401,0.07333431,-0.21878693,0.00293695,-0.00232339
 ,0.00517337,-0.00978201,0.00672880,-0.02375029,0.00001962,0.00001951,0
 .00003174,0.00000754,0.00000087,-0.00005461,-0.00001803,-0.00001046,0.
 00003878,-0.00001570,0.00001144,0.00002603,0.00000956,-0.00002384,0.00
 012822,0.00000087,0.00001011,0.00000154,0.00003341,-0.00001206,-0.0000
 0532,-0.00010183,0.00013518,0.00034393,0.00029476,0.00025800,0.0007665
 8,0.00068936,0.00116510,0.00104882,0.09246351,-0.07882426,0.24096225,0
 .00015774,-0.00000753,0.00005716,0.00014240,0.00006637,-0.00047876,0.0
 0006232,-0.00001448,-0.00005851,0.00001757,-0.00000321,-0.00002483,-0.
 00001922,0.00000982,-0.00001446,0.00003857,-0.00000643,0.00005979,0.00
 131970,0.00144546,0.00056927,-0.00394747,0.02092345,0.02582132,-0.0515
 1935,0.02119243,0.02496631,-0.00672199,-0.00017432,0.00008686,0.000004
 42,-0.00000277,0.00000070,0.00000238,0.00006274,0.00002382,0.00000166,
 -0.00001950,-0.00001202,-0.00001032,-0.00004496,-0.00001881,-0.0000085
 6,0.00002972,-0.00002436,0.00002335,0.00000205,-0.00000828,0.00000354,
 0.00000282,0.00000358,-0.00003104,0.00000405,-0.00002827,-0.00015308,-
 0.00089155,-0.00031814,-0.00003245,-0.00012860,-0.00006892,0.00133192,
 -0.00002141,-0.00061677,0.05662151,-0.00003634,0.00004109,0.00002218,0
 .00010656,0.00010125,0.00022077,-0.00002423,-0.00000491,0.00003996,0.0
 0000138,-0.00000827,0.00000142,0.00000047,-0.00000018,0.00001552,0.000
 05499,0.00002040,-0.00010796,-0.00070415,0.00058326,0.00067424,0.00021
 798,-0.00447002,-0.00301036,0.02232052,-0.15440421,-0.12537039,0.00183
 436,0.00040772,0.00052375,-0.00000018,-0.00000139,0.00001502,-0.000023
 53,0.00001859,-0.00005637,0.00001806,-0.00001365,0.00004179,0.00001749
 ,0.00000332,0.00001221,0.00000017,-0.00002181,0.00001563,-0.00000171,-
 0.00000347,-0.00000308,0.00001046,-0.00000183,0.00000127,0.00001344,-0
 .00000293,0.00001619,-0.00006322,0.00049592,-0.00000396,-0.00000217,-0
 .00001134,0.00005808,0.00013191,-0.00011793,0.00018776,-0.02526373,0.1
 6574298,-0.00012349,0.00005562,-0.00002841,0.00007653,0.00030590,0.000
 32579,-0.00002808,-0.00002263,0.00004484,-0.00000620,-0.00000224,0.000
 00614,-0.00000100,0.00000508,-0.00000269,0.00000063,0.00002475,-0.0000
 3045,-0.00064167,-0.00042924,-0.00021782,-0.00016175,-0.00263490,-0.00
 450007,0.02641156,-0.12499898,-0.19402952,0.00207565,0.00025870,0.0009
 0143,-0.00000439,0.00000008,0.00000234,-0.00001100,-0.00002812,-0.0000
 3064,0.00001045,0.00000814,0.00001876,0.00001457,0.00002610,0.00001284
 ,0.00000026,-0.00001992,0.00001616,-0.00001409,-0.00000802,0.00000087,
 -0.00000197,-0.00000472,0.00000029,0.00000818,-0.00002734,-0.00000071,
 0.00039581,0.00066809,0.00033087,0.00003262,-0.00009030,-0.00004912,0.
 00037651,0.00017900,0.00072538,-0.02973716,0.13927455,0.20877129,0.000
 07164,-0.00003462,-0.00009610,0.00010669,0.00003447,0.00048431,-0.0001
 0389,0.00002622,-0.00000509,0.00000349,0.00000537,0.00010360,0.0001516
 7,-0.00007583,0.00004838,0.00004787,-0.00012760,-0.00015050,0.00152966
 ,0.00127085,-0.00134980,-0.01716231,0.01269721,-0.02823290,-0.09588063
 ,0.04087127,-0.09146803,0.00145494,-0.00080090,-0.00142317,0.00000767,
 0.00000347,0.00000708,0.00000564,-0.00000913,-0.00000555,-0.00000799,0
 .00000072,0.00000397,-0.00000671,0.00000718,0.00000691,-0.00001406,-0.
 00000329,0.00003425,0.00000015,0.00000658,0.00000205,0.00002145,0.0000
 0255,-0.00000377,0.00002539,0.00009556,0.00011759,-0.00005197,-0.00011
 060,0.00004223,-0.00006941,-0.00073990,0.00078680,-0.00623550,0.000755
 82,0.00176313,0.00146918,-0.00240969,0.00362085,0.10765299,0.00007297,
 -0.00004543,0.00001347,-0.00011080,-0.00005235,-0.00009890,-0.00000258
 ,-0.00000932,-0.00001555,0.00000242,-0.00000512,0.00000978,0.00000107,
 0.00000251,-0.00001690,-0.00003151,-0.00001339,0.00002345,-0.00057585,
 0.00046456,-0.00073699,0.00252345,-0.00284990,0.00406830,0.04111606,-0
 .08151567,0.07601062,-0.00010929,0.00003288,0.00088925,-0.00000050,0.0
 0000175,0.00000826,-0.00000959,0.00004107,0.00000043,0.00000980,-0.000
 01372,0.00000251,0.00000461,-0.00002545,-0.00001097,-0.00000507,0.0000
 1920,-0.00000269,0.00001046,0.00000329,-0.00000537,0.00000256,0.000004
 29,0.00000276,-0.00000196,-0.00001337,-0.00001636,0.00001465,-0.000006
 58,-0.00012194,0.00001026,0.00044610,0.00002208,0.00095542,0.00062416,
 -0.00053139,-0.01018243,0.00851175,-0.01736697,-0.04689508,0.08431956,
 -0.00010227,0.00002268,0.00000282,0.00009138,-0.00023067,0.00025045,0.
 00003091,0.00000562,0.00002119,-0.00000394,0.00000328,-0.00002991,-0.0
 0001285,0.00002401,0.00006310,0.00014702,0.00002579,-0.00009177,0.0001
 7546,-0.00028321,0.00046457,0.00175575,-0.00203018,0.00375435,-0.09236
 921,0.07621572,-0.21795388,0.00037672,-0.00026184,0.00128202,0.0000030
 7,-0.00000370,-0.00000580,0.00000950,-0.00001891,0.00000199,-0.0000124
 3,0.00000465,-0.00000128,-0.00001043,0.00001024,0.00000743,-0.00000397
 ,-0.00000155,0.00000860,-0.00000765,0.00000467,0.00000584,0.00000778,-
 0.00000317,-0.00000431,0.00002202,0.00000102,0.00001004,-0.00005530,0.
 00009993,-0.00015594,-0.00038461,-0.00036677,0.00025159,0.00135812,-0.
 00047895,0.00124471,-0.01017849,0.00940682,-0.01952307,0.10198362,-0.0
 8484716,0.23609740,-0.00045739,0.00011253,-0.00010632,0.00025478,-0.00
 189982,0.00060071,-0.00001662,0.00017717,0.00007125,-0.00005527,-0.000
 00146,0.00002472,0.00001166,0.00010666,-0.00000876,-0.00019203,0.00005
 807,0.00011023,-0.00646299,0.00248520,0.00062874,-0.01432880,-0.029064
 82,0.00834242,-0.09570355,-0.09756256,0.02701727,0.00127341,-0.0013453
 9,-0.00065541,-0.00000828,-0.00001997,-0.00004693,0.00004554,-0.000197
 34,0.00006724,-0.00003786,0.00007921,-0.00006041,-0.00001200,0.0001080
 4,0.00002129,0.00001811,-0.00009546,0.00002600,-0.00006011,0.00000430,
 0.00002492,-0.00003699,-0.00000157,-0.00001144,0.00002618,-0.00006931,
 -0.00004180,0.00011191,0.00036015,-0.00024588,0.00013011,0.00010022,0.
 00024989,0.00118929,-0.00000909,-0.00071349,0.00145221,0.00397699,-0.0
 0192742,0.00649751,0.01314957,-0.00253786,0.10609106,-0.00010135,0.000
 01594,-0.00006508,0.00041422,0.00028914,0.00015189,-0.00007181,-0.0000
 2490,0.00002575,0.00002819,0.00000033,0.00003834,0.00000939,-0.0000187
 3,-0.00004528,-0.00012520,0.00001334,0.00003609,0.00036113,0.00079910,
 -0.00063271,0.00269884,0.00394607,-0.00204166,-0.09905305,-0.24280740,
 0.05395338,0.00055223,0.00072654,-0.00006541,-0.00000582,0.00000601,-0
 .00001232,0.00002785,-0.00008340,0.00002753,-0.00002361,0.00003655,-0.
 00002839,-0.00001176,0.00004302,0.00000895,0.00001525,0.00000035,-0.00
 001986,-0.00002243,0.00000669,0.00000750,-0.00001683,-0.00000141,-0.00
 000338,0.00002136,0.00000272,0.00002210,0.00023137,0.00029920,0.000190
 25,0.00017846,0.00011052,-0.00015850,-0.00068624,0.00046837,-0.0001962
 8,-0.00822577,-0.01741376,0.00533603,-0.00437916,-0.00998303,0.0022481
 0,0.10827629,0.26300107,-0.00004048,-0.00000603,-0.00000111,-0.0000428
 6,0.00041500,0.00058131,-0.00000177,-0.00003755,0.00001135,0.00000851,
 0.00000310,0.00000539,0.00001955,-0.00003818,0.00002448,0.00015122,-0.
 00002089,-0.00006465,0.00117671,-0.00077666,0.00001546,0.00163122,0.00
 424806,-0.00274279,0.02722934,0.05336128,-0.06199427,-0.00000447,0.000
 90939,0.00006151,0.00000109,0.00000438,0.00000987,-0.00000708,0.000050
 34,0.00000236,0.00000841,-0.00001697,0.00000121,0.00000114,-0.00003230
 ,-0.00001251,-0.00001470,0.00002523,-0.00000671,0.00000547,0.00000124,
 -0.00000503,0.00001347,-0.00000312,0.00000090,0.00000035,0.00000852,0.
 00000607,-0.00005067,0.00040000,0.00020204,-0.00017058,-0.00041791,0.0
 0032610,-0.00008059,-0.00048953,0.00029194,-0.01145885,-0.02137967,0.0
 0679280,0.01234367,0.02333377,-0.00615745,-0.03078783,-0.05899841,0.06
 263570,-0.00003216,0.00011269,-0.00037880,-0.00006224,0.00004554,0.000
 03944,-0.00003356,0.00007588,0.00009153,0.00001884,-0.00000909,0.00008
 311,0.00017161,-0.00000989,0.00003183,-0.00002399,-0.00011384,0.000041
 51,0.00003759,0.00023592,-0.00052735,0.00083756,-0.00194765,0.00380084
 ,0.00087450,-0.00064027,0.00093880,-0.08858407,0.03434787,-0.08682480,
 0.00002168,-0.00002501,0.00000694,0.00000903,0.00006976,-0.00000477,-0
 .00000269,-0.00002742,0.00001348,-0.00002712,-0.00003857,0.00000129,-0
 .00001054,-0.00023906,0.00020241,-0.00002142,0.00000589,-0.00000075,0.
 00000532,0.00000963,0.00000565,0.00001140,0.00000629,0.00002920,-0.000
 02340,-0.00013450,0.00013618,0.00002900,-0.00030096,-0.00003213,0.0006
 6004,0.00049641,0.00095490,0.00003003,-0.00011313,-0.00017643,0.000265
 12,0.00017482,-0.00017585,-0.00003174,-0.00003746,0.00005826,0.0915158
 6,0.00003215,-0.00001708,0.00004417,-0.00001613,-0.00001592,0.00013422
 ,-0.00005529,0.00002016,0.00000094,-0.00001422,-0.00000902,0.00004490,
 0.00004593,0.00000892,0.00002603,-0.00001273,-0.00000058,-0.00014928,-
 0.00046177,0.00186011,-0.00087870,-0.00936509,0.00676007,-0.02010889,-
 0.00098763,0.00084813,0.00023153,0.03452286,-0.07596551,0.07357387,-0.
 00000551,-0.00000187,0.00001624,-0.00001517,0.00000805,-0.00000939,0.0
 0001470,-0.00000156,0.00000629,0.00002098,-0.00000163,-0.00000772,-0.0
 0010335,-0.00003579,0.00000309,0.00001456,0.00000553,-0.00000610,0.000
 00710,-0.00000532,-0.00000243,0.00001148,0.00000922,0.00005535,0.00024
 426,0.00022928,0.00027254,0.00028605,-0.00009734,0.00049112,0.00059055
 ,-0.00244951,-0.00389081,-0.00024702,0.00002653,0.00019563,0.00017227,
 0.00006196,0.00043301,0.00014641,-0.00008304,0.00008788,-0.03868550,0.
 08065454,-0.00014093,0.00005899,-0.00025929,0.00006173,-0.00015329,0.0
 0002951,-0.00000262,-0.00000058,0.00009073,0.00000187,0.00000243,-0.00
 000739,0.00001642,-0.00002017,0.00009536,0.00014307,-0.00004583,-0.000
 11011,0.00019140,0.00139211,0.00076416,-0.01050121,0.00810225,-0.02423
 356,-0.00111928,0.00096605,0.00083971,-0.08634796,0.07281336,-0.229553
 84,0.00000800,-0.00000105,0.00000325,0.00000728,-0.00002646,-0.0000134
 9,-0.00001170,0.00000460,0.00000993,-0.00000889,0.00001999,0.00001540,
 -0.00000257,-0.00004155,0.00012724,-0.00001277,0.00000368,0.00000518,0
 .00000863,0.00000281,-0.00000202,0.00002239,0.00004552,0.00010158,0.00
 029596,-0.00001861,0.00037805,-0.00019242,-0.00096979,0.00066561,0.001
 26108,-0.00415418,-0.00272791,0.00011875,-0.00015877,0.00053303,0.0010
 3378,-0.00045307,0.00032067,0.00003001,-0.00002397,-0.00005844,0.09618
 043,-0.07800540,0.25450248,-0.00053778,-0.00091573,0.00001254,-0.00032
 120,-0.00095592,-0.00056723,0.00032517,-0.00019551,0.00006431,-0.00002
 710,0.00007999,-0.00024186,-0.00020543,0.00009944,0.00010016,0.0004475
 2,-0.00024535,0.00023726,-0.00028114,-0.00019887,0.00014575,-0.0033055
 2,0.00089369,0.00058339,0.00104113,0.00079815,0.00143155,-0.29769204,0
 .04302974,0.03783240,0.00000336,0.00001481,-0.00000473,0.00001877,0.00
 004641,0.00004789,-0.00001827,-0.00001335,-0.00003261,-0.00002167,-0.0
 0004820,-0.00002276,-0.00007500,0.00020139,-0.00011800,0.00002302,0.00
 001779,-0.00000608,0.00000299,0.00000540,0.00000503,-0.00000858,0.0000
 1686,-0.00002306,0.00004129,0.00011300,-0.00000513,-0.00001655,0.00001
 305,0.00002723,0.00047255,0.00011257,0.00041290,-0.00031397,0.00002670
 ,0.00000094,0.00024948,-0.00018880,-0.00007983,0.00020669,-0.00006026,
 -0.00020992,-0.01156952,0.00142999,0.00156901,0.32411474,-0.00037702,-
 0.00022617,0.00021866,-0.00001051,-0.00074880,-0.00025462,-0.00028688,
 0.00010207,0.00006088,-0.00005438,-0.00006113,0.00016803,0.00019168,-0
 .00003958,-0.00004381,-0.00030966,0.00007058,-0.00029995,0.00064358,0.
 00067257,0.00049101,0.02239814,-0.00389059,-0.00133141,-0.00068729,-0.
 00300743,-0.00352510,0.04061059,-0.05437567,-0.00626024,0.00001820,-0.
 00000499,0.00005869,-0.00006280,0.00031740,-0.00002968,0.00004777,-0.0
 0011884,0.00005074,-0.00000439,-0.00019234,-0.00005215,0.00001713,-0.0
 0019446,0.00007833,0.00002015,0.00000284,-0.00002758,0.00001501,0.0000
 0569,0.00001534,0.00001607,-0.00000036,0.00008098,-0.00003004,0.000274
 86,-0.00002731,-0.00000693,-0.00007906,-0.00002815,-0.00058011,0.00082
 149,0.00032662,0.00144354,0.00001691,-0.00060213,-0.00039866,0.0000697
 5,0.00005574,0.00018741,0.00029305,-0.00015992,0.01099837,-0.00261888,
 -0.00189026,-0.04595280,0.05714075,-0.00020190,-0.00001677,0.00021645,
 -0.00016957,-0.00030113,0.00030330,0.00015904,-0.00010726,0.00000330,-
 0.00003013,-0.00000831,-0.00009473,-0.00018887,0.00007642,-0.00000821,
 0.00001653,0.00015922,-0.00014358,-0.00000245,0.00072728,0.00065651,0.
 02518369,-0.00298289,-0.00367208,-0.00053221,-0.00359710,-0.00361123,0
 .03683678,-0.00609660,-0.05324097,-0.00001877,0.00001556,0.00000647,-0
 .00002126,0.00000255,0.00002018,0.00001780,0.00000527,-0.00001659,0.00
 002924,-0.00000728,-0.00002399,-0.00004739,0.00021252,-0.00011731,0.00
 002240,0.00002048,-0.00001192,-0.00000377,-0.00002554,-0.00000585,0.00
 000715,-0.00002210,-0.00002601,0.00004834,0.00020647,-0.00009662,-0.00
 008745,-0.00008478,-0.00003120,-0.00000271,0.00089268,0.00070193,0.001
 63152,-0.00063502,-0.00007467,0.00021449,-0.00025561,0.00021415,-0.000
 40875,0.00005342,0.00003104,-0.02765489,0.00389981,0.00487681,-0.04250
 647,0.00937857,0.05616031,-0.00013278,-0.00015361,-0.00021762,0.000022
 59,-0.00023291,-0.00000705,0.00021636,-0.00012101,0.00001993,0.0000535
 0,0.00003494,-0.00014440,-0.00016553,0.00004927,0.00005024,0.00026556,
 -0.00008750,0.00021636,-0.00008483,0.00104256,0.00061647,0.00062933,0.
 00474200,-0.00153970,0.00067774,0.00090185,-0.00023034,-0.09680583,-0.
 09918076,0.02694214,-0.00001158,0.00001361,-0.00002809,0.00004405,-0.0
 0018447,0.00003306,-0.00002939,0.00007627,-0.00004130,-0.00000379,0.00
 010997,0.00002541,-0.00003457,0.00010905,-0.00005934,-0.00001148,0.000
 01174,0.00001289,-0.00001263,-0.00000430,-0.00000837,0.00000596,0.0000
 0302,-0.00003223,0.00033566,0.00017439,0.00013422,-0.00004036,-0.00017
 407,0.00015305,-0.00001420,-0.00036101,-0.00024472,0.00006534,-0.00008
 999,-0.00018194,-0.00002870,0.00005902,-0.00002568,0.00014371,0.000012
 60,0.00021043,0.00592350,0.01243966,-0.00260566,-0.01258053,-0.0279209
 2,0.00771424,0.10161157,-0.00003130,0.00008873,0.00005227,0.00098429,0
 .00016905,-0.00004030,-0.00006716,0.00003586,-0.00002752,-0.00001942,0
 .00000854,0.00006694,0.00005463,0.00001315,-0.00004209,-0.00023943,0.0
 0011602,-0.00002429,0.00132189,-0.00167293,-0.00450888,-0.00938797,-0.
 01962755,0.00624744,-0.00098510,0.00049517,0.00121352,-0.09807246,-0.2
 4173600,0.05365743,-0.00000718,-0.00000351,-0.00003140,0.00004006,-0.0
 0017221,0.00004183,-0.00003369,0.00006997,-0.00004472,-0.00001031,0.00
 009670,0.00002277,0.00004455,-0.00000775,-0.00003405,-0.00002868,-0.00
 000407,0.00001792,-0.00002348,-0.00000415,-0.00001055,0.00002581,-0.00
 003352,0.00001796,-0.00083382,-0.00134932,0.00005444,0.00013826,0.0005
 2067,-0.00004983,-0.00021052,0.00095298,-0.00022717,0.00004770,0.00051
 024,-0.00009663,0.00003422,-0.00007029,-0.00003778,0.00093765,0.000361
 94,-0.00047221,-0.00426130,-0.00918735,0.00254936,0.00186883,0.0057568
 9,-0.00150888,0.10874657,0.26467867,0.00000597,0.00023287,-0.00019808,
 0.00074971,0.00010065,-0.00007948,-0.00014410,0.00006134,0.00006113,-0
 .00002600,-0.00003349,0.00012368,0.00012809,0.00000182,-0.00003489,-0.
 00015919,0.00004069,-0.00003945,0.00108531,-0.00285209,-0.00373639,-0.
 01111749,-0.02255734,0.00577901,-0.00092885,0.00011134,0.00087722,0.02
 731812,0.05521383,-0.06155945,0.00000490,-0.00001439,0.00000723,-0.000
 00962,0.00002071,0.00000637,0.00000983,-0.00000644,-0.00000106,0.00000
 700,-0.00001354,-0.00000842,0.00000920,-0.00014154,0.00014176,-0.00001
 803,0.00000091,-0.00000166,-0.00000884,0.00000212,0.00000092,0.0000160
 1,-0.00002792,0.00001829,-0.00052607,-0.00145494,0.00037203,0.00015305
 ,-0.00022921,0.00020503,-0.00045101,0.00073937,0.00102208,-0.00029366,
 0.00020455,0.00000560,0.00014163,0.00009581,-0.00007703,0.00032950,0.0
 0018893,0.00004391,0.01316078,0.02354267,-0.00639205,0.00133922,0.0035
 5797,-0.00201716,-0.03076767,-0.05679130,0.06547691,-0.00022578,0.0000
 0825,-0.00000588,0.00012198,0.00003866,-0.00032048,0.00150498,-0.00040
 796,0.00228376,-0.01209703,0.00109697,0.03363064,-0.00612615,0.0008805
 9,-0.00141275,0.00019546,-0.00017506,0.00161460,0.00000983,-0.00001100
 ,-0.00009207,0.00000950,0.00001147,0.00000938,0.00000099,-0.00000680,-
 0.00000430,-0.00000651,0.00000098,0.00000374,-0.05581103,0.00246184,0.
 05217083,0.00172972,-0.00002747,-0.01189420,-0.00120440,0.00273946,-0.
 00121885,-0.00017376,-0.00035026,0.00010232,0.00006638,0.00000700,-0.0
 0000835,-0.00013821,0.00016980,-0.00125161,0.00018859,0.00001731,-0.00
 007015,-0.00047844,0.00000208,0.00005636,0.00001646,-0.00000551,-0.000
 00688,-0.00003582,0.00000154,-0.00001131,0.00000266,0.00000878,-0.0000
 0896,0.00000281,-0.00000105,-0.00000045,-0.00000355,0.00000182,-0.0000
 0201,-0.00000371,-0.00000014,0.00000182,-0.00000674,0.00000101,-0.0000
 0656,0.00000291,0.00000216,0.00000897,-0.00000032,-0.00000196,-0.00000
 301,0.06973330,-0.00005578,-0.00016790,0.00001544,0.00000368,0.0000522
 9,-0.00000703,-0.00013226,0.00006914,-0.00031267,0.00057979,0.00000466
 ,-0.00344026,0.00053780,0.00095341,0.00017924,0.00000327,0.00024217,-0
 .00012233,-0.00000228,0.00002624,0.00001545,0.00000987,-0.00000086,0.0
 0000368,-0.00000066,0.00000005,-0.00000240,-0.00000303,-0.00000386,-0.
 00000188,0.00303939,-0.05146393,-0.01427806,-0.00934380,0.00441746,0.0
 2973824,0.00499314,-0.00550126,0.00292445,0.00123010,-0.00147663,-0.00
 096738,-0.00001859,-0.00006086,-0.00000307,0.00010434,0.00026251,0.000
 19322,0.00001577,-0.00021904,-0.00004556,0.00003112,-0.00014065,-0.000
 00800,-0.00001186,-0.00000056,0.00000030,0.00000577,0.00000201,0.00000
 117,-0.00000101,-0.00000183,-0.00000186,0.00000069,-0.00000016,-0.0000
 0030,0.00000007,0.00000028,0.00000024,0.00000027,-0.00000053,0.0000004
 2,0.00000126,0.00000117,0.00000021,-0.00000046,0.00000254,0.00000226,-
 0.00000102,-0.00000077,0.00000149,-0.00333474,0.05716843,0.00039268,-0
 .00001135,0.00025044,-0.00012570,-0.00003172,0.00031472,-0.00309614,0.
 00038613,0.00067572,0.00222235,0.00000580,-0.00422349,0.00059413,-0.00
 012962,0.00084113,-0.00036964,0.00001033,-0.00030840,-0.00001591,0.000
 01070,0.00004651,-0.00000995,-0.00001735,-0.00000388,-0.00000064,0.000
 00940,0.00000012,0.00000504,0.00000507,-0.00000292,0.05524950,-0.01023
 991,-0.29491691,0.00282448,-0.00266370,-0.01841668,-0.00114195,0.00373
 193,0.00011091,0.00010071,-0.00132922,0.00235477,0.00002671,-0.0000019
 1,-0.00001317,0.00018460,-0.00008507,0.00075893,-0.00015314,0.00001793
 ,0.00012363,0.00008859,-0.00000962,-0.00000025,-0.00000599,-0.00000066
 ,-0.00000333,0.00001836,-0.00000238,0.00000575,-0.00000097,-0.00000159
 ,0.00000444,-0.00000250,-0.00000008,0.00000071,0.00000164,-0.00000223,
 0.00000254,0.00000571,0.00000265,-0.00000245,0.00000171,-0.00000251,0.
 00000398,-0.00000110,-0.00000949,-0.00000548,0.00000460,0.00000552,-0.
 00000082,-0.05611853,0.01424876,0.32167209,-0.00086909,0.00165437,0.00
 012769,-0.00008327,-0.00002154,-0.00060671,-0.00099350,-0.00072484,0.0
 0218397,-0.02561276,-0.02665110,-0.01447171,0.00001949,-0.00063917,-0.
 00091252,0.00051678,0.00083560,-0.00036429,-0.00004805,-0.00018893,0.0
 0005308,-0.00002055,0.00013266,-0.00002170,0.00000052,-0.00006726,0.00
 000764,-0.00000599,-0.00001867,0.00001861,-0.09401634,-0.03906318,-0.0
 1980999,0.00716928,0.00249482,0.00653628,-0.00092256,0.00182572,-0.001
 13471,-0.00124154,0.00436996,-0.00070862,-0.00019461,0.00011964,-0.000
 01333,-0.00006133,-0.00059095,-0.00031548,-0.00025672,-0.00023579,0.00
 010525,0.00004724,-0.00007744,0.00003683,-0.00008058,0.00002581,-0.000
 03199,-0.00003139,0.00001442,0.00002032,0.00000380,-0.00001552,0.00000
 843,0.00000356,0.00000849,0.00000165,-0.00000110,0.00000643,-0.0000059
 9,-0.00003539,-0.00000947,0.00000742,-0.00000272,0.00000526,-0.0000050
 0,0.00000342,0.00004390,0.00000946,-0.00002132,-0.00002494,-0.00000083
 ,0.00307388,0.00453797,0.00140091,0.54895249,-0.00007618,-0.00050721,0
 .00004858,0.00028417,-0.00002509,0.00001868,0.00220493,-0.00093338,0.0
 0042937,-0.00815754,0.00323649,0.00173294,0.00139610,0.00016271,-0.000
 57506,-0.00011785,-0.00001442,-0.00007334,-0.00004881,0.00013797,-0.00
 005166,0.00005181,-0.00009777,0.00002241,0.00000181,0.00005729,-0.0000
 0400,-0.00000284,0.00001007,-0.00001628,-0.03529375,-0.13524741,-0.031
 85837,-0.01288701,-0.03539534,-0.00796065,-0.00047561,0.00095720,-0.00
 445066,0.00116965,-0.00407148,0.00164641,0.00013725,0.00005300,0.00003
 897,0.00003760,0.00031239,-0.00003625,-0.00002251,0.00010443,-0.000034
 98,0.00007055,-0.00004584,-0.00004338,0.00006765,-0.00001426,-0.000015
 67,0.00003479,-0.00000668,0.00001375,-0.00000855,-0.00000197,0.0000016
 2,-0.00000279,-0.00000828,-0.00000425,0.00000429,-0.00000515,0.0000073
 7,0.00003005,0.00000843,-0.00000633,0.00000211,-0.00000549,0.00000699,
 -0.00000027,-0.00003403,-0.00000850,0.00001709,0.00002003,-0.00000058,
 -0.00113906,-0.00257308,-0.00195991,-0.04639563,0.50453990,0.00040779,
 0.00011087,-0.00027235,0.00027954,0.00003695,0.00067218,-0.00013931,0.
 00009471,-0.00040177,-0.00335506,0.00324087,0.00250503,0.00206534,-0.0
 0037704,-0.00020982,-0.00082852,0.00000886,-0.00022118,-0.00003436,-0.
 00001343,-0.00004987,0.00000903,-0.00005057,0.00003186,0.00000092,0.00
 002816,-0.00000841,-0.00000137,0.00000748,-0.00001107,-0.01725684,-0.0
 3225773,-0.10084555,0.01003365,0.00589988,0.00854630,-0.00041862,0.000
 82474,-0.00119013,-0.00180316,0.00392718,-0.00011993,0.00006178,-0.000
 03572,-0.00001241,0.00007358,-0.00027785,0.00021631,0.00028853,0.00034
 421,-0.00029207,0.00002244,-0.00007741,-0.00002322,0.00006929,-0.00002
 350,0.00000566,0.00001058,-0.00001050,-0.00001100,-0.00000287,0.000015
 64,-0.00001227,0.00000056,-0.00000595,-0.00000063,-0.00000202,-0.00000
 261,0.00000069,0.00001332,0.00000283,-0.00000261,0.00000464,-0.0000047
 9,0.00000121,0.00000201,-0.00001215,-0.00000663,0.00000525,0.00000814,
 0.00000247,-0.01656982,-0.02745350,-0.01116699,-0.02117055,-0.03927456
 ,0.55841854,0.00009596,0.00003744,-0.00004055,-0.00003123,-0.00001747,
 0.00009503,-0.00001199,-0.00008758,-0.00012539,0.00049239,-0.00106429,
 0.00020038,0.00008251,-0.00009902,-0.00000764,-0.00014295,-0.00000348,
 0.00002457,-0.00000874,0.00002583,-0.00000831,0.00000478,0.00001348,0.
 00000978,-0.00000768,-0.00000422,-0.00000579,-0.00005286,-0.00000529,0
 .00000397,0.00549369,0.00034450,-0.00020019,0.00499298,0.00032510,0.00
 315344,-0.00605267,-0.00076065,-0.00047664,-0.05132226,0.10345610,-0.0
 6700274,0.00001234,0.00002184,0.00000285,-0.00000112,-0.00001770,0.000
 03956,0.00004041,0.00006649,0.00000786,-0.00000346,0.00002174,0.000001
 88,0.00000844,-0.00001182,-0.00001386,0.00000713,-0.00000313,0.0000137
 7,-0.00000331,0.00000228,0.00001883,0.00000761,-0.00001060,-0.00001142
 ,0.00000650,-0.00000362,0.00000925,0.00000085,0.00000551,-0.00000029,0
 .00002266,-0.00001839,0.00000942,0.00002265,0.00001943,-0.00002621,-0.
 00001246,0.00000049,-0.00000409,-0.00010616,-0.00020468,-0.00046958,-0
 .00036337,0.00039399,-0.00051415,0.04677191,-0.00002454,-0.00000492,0.
 00002198,0.00002662,-0.00002052,-0.00000464,0.00010444,0.00007849,0.00
 009614,0.00001369,-0.00002169,0.00014986,0.00005984,0.00016269,0.00003
 927,-0.00001383,-0.00000600,-0.00010632,0.00002590,-0.00003466,0.00000
 264,-0.00000228,0.00006064,0.00000057,-0.00000029,-0.00002908,-0.00000
 454,-0.00000016,-0.00001474,0.00000262,-0.00172112,-0.00169554,-0.0055
 2517,0.01367785,-0.04962095,0.01766315,-0.00081682,0.00910363,0.004973
 41,0.09082922,-0.32380859,0.16122674,-0.00001979,0.00000961,-0.0000186
 7,0.00001389,-0.00002484,0.00000912,0.00008235,-0.00008436,-0.00011113
 ,-0.00001134,0.00001004,0.00002348,-0.00002084,-0.00000135,0.00000663,
 -0.00002029,0.00000216,-0.00001038,0.00000516,0.00000531,-0.00000514,0
 .00000581,0.00000188,-0.00000240,-0.00000248,0.00000486,-0.00000284,-0
 .00002181,-0.00001139,0.00000609,0.00000363,0.00000105,-0.00000382,0.0
 0000778,0.00003923,0.00000356,-0.00002958,-0.00002145,0.00000651,-0.00
 026277,0.00082392,-0.00016628,0.00096156,-0.00081363,0.00062559,-0.102
 54080,0.36636969,-0.00004065,-0.00001778,-0.00000139,0.00001747,-0.000
 00191,-0.00001795,-0.00001102,-0.00000248,0.00001467,-0.00018943,0.000
 14441,-0.00016361,-0.00000747,0.00005114,0.00006018,0.00001906,0.00001
 072,-0.00002645,0.00001058,-0.00001149,0.,0.00001000,0.00001874,0.0000
 1952,-0.00000049,-0.00001179,-0.00000565,-0.00000557,-0.00000997,-0.00
 000360,-0.00144384,-0.00306099,-0.00202602,0.00948002,-0.02685984,0.02
 180379,-0.00004699,0.00420224,-0.00458769,-0.07294347,0.20522187,-0.16
 631175,-0.00001736,0.00000524,-0.00000908,0.00002286,0.00000188,0.0000
 1907,0.00001164,-0.00006979,-0.00004250,0.00000734,-0.00000488,0.00000
 343,-0.00000659,-0.00000306,0.00000319,-0.00000863,0.00000380,-0.00000
 830,-0.00000059,0.00000103,-0.00001375,0.00000392,-0.00000171,-0.00000
 119,-0.00000379,0.00000431,-0.00000434,-0.00000595,-0.00000331,0.00000
 414,-0.00000462,0.00000653,-0.00000672,0.00000496,0.00001485,0.0000128
 0,-0.00000635,-0.00000648,0.00000556,-0.00004980,-0.00011066,0.0003184
 9,0.00017362,-0.00080969,0.00081186,0.06512902,-0.17855117,0.15027497,
 0.00036573,-0.00007747,-0.00011124,0.00005077,-0.00002448,0.00032772,-
 0.00046601,0.00019228,-0.00022212,0.00153380,0.00066752,-0.00054426,-0
 .00004347,-0.00001651,-0.00034180,-0.00034975,0.00013854,0.00009142,-0
 .00001598,-0.00001036,0.00003129,-0.00001048,-0.00002074,-0.00000134,-
 0.00000068,0.00001073,0.00000010,0.00000248,0.00000647,-0.00000450,0.0
 0175380,-0.00092547,-0.01699006,0.00062052,0.00052461,0.00090452,-0.00
 044719,-0.00021615,-0.00007087,-0.00000185,-0.00013242,-0.00029896,0.0
 0001336,-0.00000084,0.00000610,0.00001531,-0.00001443,0.00012002,-0.00
 049575,-0.00063280,0.00029606,-0.00000148,-0.00002881,-0.00001444,0.00
 000439,-0.00000198,-0.00000451,0.00001663,0.00000031,0.00000484,-0.000
 00052,0.00000094,0.00000147,-0.00000213,-0.00000201,0.00000007,0.00000
 081,-0.00000220,0.00000197,0.00000787,0.00000481,-0.00000198,-0.000000
 59,-0.00000203,0.00000247,0.00000077,-0.00001255,-0.00000243,0.0000075
 1,0.00000763,-0.00000136,-0.00106601,-0.00285260,-0.00127869,-0.056177
 86,0.00233051,0.04913408,0.00000608,0.00003640,0.00008536,0.05843992,0
 .00031219,0.00001787,-0.00010017,0.00007602,-0.00002301,0.00031485,-0.
 00039041,0.00020203,-0.00016426,0.00137174,0.00073346,0.00072562,0.000
 06538,0.00005774,-0.00053727,-0.00028556,0.00000986,0.00019209,-0.0000
 0164,-0.00002575,0.00004033,-0.00001242,0.00000580,-0.00000775,-0.0000
 0071,-0.00000152,0.00000055,-0.00000167,0.00000048,0.00000077,0.004513
 26,-0.00277639,-0.02809889,-0.00005179,0.00095423,-0.00318691,0.000223
 41,-0.00004335,0.00169574,0.00018250,0.00067877,0.00099261,-0.00000723
 ,-0.00001700,-0.00000578,0.00004243,-0.00007904,0.00009097,-0.00049727
 ,-0.00017646,0.00029392,-0.00002895,0.00000942,-0.00001044,0.00000465,
 -0.00000210,-0.00000470,0.00000935,0.,-0.00000185,0.00000138,0.0000030
 0,0.00000115,0.00000080,-0.00000036,-0.00000147,0.00000009,-0.00000029
 ,0.00000068,-0.00000130,-0.00000078,-0.00000027,0.00000111,-0.00000121
 ,0.00000087,0.00000234,-0.00000033,-0.00000227,-0.00000067,-0.00000133
 ,-0.00000116,-0.00286335,-0.00427246,-0.00167448,0.00145126,-0.0462535
 6,-0.00867816,0.00003809,-0.00020625,0.00009497,0.00105874,0.04995386,
 0.00031417,-0.00002251,-0.00002470,0.00000457,-0.00008024,0.00028184,-
 0.00038993,0.00014325,-0.00021671,0.00120957,-0.00002721,0.00048926,0.
 00009098,0.00051323,-0.00016134,-0.00038220,0.00018153,0.00013863,-0.0
 0000953,-0.00002811,0.00003548,-0.00001472,0.00000310,-0.00001009,-0.0
 0000115,-0.00000121,0.00000079,0.00000176,0.00000498,-0.00000168,0.001
 60551,-0.00257128,-0.01377015,-0.00117020,0.00135958,-0.00213993,0.000
 57631,0.00118842,0.00161812,0.00016265,-0.00026394,0.00045378,-0.00001
 060,-0.00001886,-0.00000388,0.00002215,-0.00001607,0.00012515,0.000291
 49,-0.00010938,0.00042907,-0.00002507,0.00002126,-0.00000048,-0.000009
 67,0.00000156,-0.00000155,0.00000937,0.00000298,0.00000104,0.00000241,
 0.00000056,0.00000330,-0.00000160,0.00000079,0.00000137,0.00000056,-0.
 00000128,0.00000102,0.00000105,0.00000201,-0.00000075,0.00000034,-0.00
 000138,0.00000181,-0.00000016,-0.00000535,-0.00000157,0.00000355,0.000
 00245,-0.00000114,-0.00143198,-0.00183507,0.00062612,0.04771511,-0.011
 97341,-0.30622325,0.00002118,-0.00006275,-0.00001484,-0.05184332,0.013
 98582,0.33315689,-0.00028100,0.00026018,0.00015169,0.00002127,0.000017
 53,-0.00019297,-0.00001089,-0.00037623,0.00059616,-0.00054699,-0.00268
 640,-0.00169021,0.00012627,-0.00011424,-0.00046438,0.00003455,0.000060
 68,-0.00011189,0.00001157,-0.00009865,0.00003548,-0.00001717,0.0000968
 6,-0.00002304,0.00000081,-0.00004949,0.00000174,0.00000235,-0.00001726
 ,0.00001560,-0.01335755,0.00116933,0.00242712,-0.00064317,0.00085301,-
 0.00134237,0.00091091,-0.00002047,0.00084474,0.00012575,-0.00021874,0.
 00019871,-0.00006119,0.00004076,-0.00001426,-0.00000572,-0.00006652,-0
 .00005847,0.00001324,0.00006702,0.00001054,-0.00002772,0.00001503,0.00
 003362,-0.00004440,0.00001287,0.00000495,-0.00002700,0.00000736,-0.000
 00891,0.00000601,-0.00000094,-0.00000328,0.00000369,0.00000862,0.00000
 282,-0.00000346,0.00000646,-0.00000690,-0.00002868,-0.00001220,0.00000
 644,-0.00000079,0.00000737,-0.00000694,-0.00000323,0.00003561,0.000008
 32,-0.00001988,-0.00002292,0.00000240,0.00044307,0.00013860,-0.0004625
 3,-0.30241571,0.02158373,0.03731874,-0.00006421,-0.00008599,-0.0000075
 0,-0.00499507,0.00079637,0.00081064,0.32951593,-0.00022142,0.00036516,
 -0.00001055,-0.00009003,-0.00001868,-0.00019847,-0.00069896,0.00002248
 ,0.00032383,-0.00111446,-0.00377766,-0.00253225,-0.00039592,0.00022222
 ,-0.00005129,0.00013595,0.00016616,0.00006689,0.00000298,-0.00007037,0
 .00002073,-0.00001701,0.00004767,-0.00000899,-0.00000045,-0.00002622,0
 .00000201,-0.00000034,-0.00000529,0.00000639,-0.02686874,0.00064605,0.
 00462791,-0.00154269,0.00108116,-0.00045349,0.00066619,0.00002448,0.00
 045318,0.00018734,0.00021268,0.00001823,-0.00008239,0.00004247,-0.0000
 0390,0.00001179,-0.00016768,-0.00006944,0.00005707,-0.00009251,0.00008
 637,-0.00003757,-0.00001527,0.00002359,-0.00003391,0.00000919,0.000001
 03,-0.00001242,0.00000366,0.00000163,0.00000275,-0.00000300,0.00000216
 ,0.00000091,0.00000381,0.00000152,-0.00000080,0.00000223,-0.00000226,-
 0.00001375,-0.00000353,0.00000281,-0.00000025,0.00000190,-0.00000184,0
 .00000018,0.00001674,0.00000292,-0.00000859,-0.00000915,0.00000044,0.0
 0068113,0.00110072,0.00020057,0.02392666,-0.05018076,-0.00311754,-0.00
 007783,-0.00001220,-0.00000414,0.00116678,-0.00094345,0.00019183,-0.02
 225237,0.05246052,0.00023620,0.00017869,-0.00003882,-0.00001548,-0.000
 03934,0.00021610,-0.00045452,0.00012415,0.00007066,-0.00023988,-0.0026
 7146,-0.00041378,-0.00000678,0.00013812,-0.00012762,-0.00027108,0.0003
 5731,0.00002267,-0.00001041,-0.00007959,0.00004026,-0.00002288,0.00003
 421,-0.00001510,-0.00000110,-0.00001786,0.00000242,0.,-0.00000142,0.00
 000411,-0.01476387,0.00066323,0.00096863,0.00055600,0.00054652,0.00087
 145,-0.00054540,-0.00008205,-0.00013231,0.00005201,-0.00006147,-0.0003
 5664,-0.00003635,-0.00002190,-0.00001125,-0.00001734,-0.00007402,-0.00
 002587,-0.00011219,-0.00041338,0.00022275,-0.00002752,0.00002069,0.000
 00808,-0.00002006,0.00000538,-0.00000775,-0.00000126,0.00000550,-0.000
 00125,0.00000322,-0.00000108,0.00000170,0.00000015,0.00000190,0.000000
 78,-0.00000057,0.00000107,-0.00000127,-0.00000765,-0.00000065,0.000001
 65,-0.00000241,0.00000144,-0.00000117,0.00000117,0.00000448,0.00000297
 ,-0.00000141,-0.00000392,-0.00000142,-0.00001011,0.00082312,0.00038041
 ,0.03776759,-0.00264152,-0.05301029,-0.00001886,0.00004624,0.00001962,
 0.03188195,-0.00292310,-0.00304655,-0.03957062,0.00590640,0.05267192,-
 0.00005190,0.00002651,0.00000864,-0.00001767,-0.00001558,-0.00001414,0
 .00017408,0.00010422,-0.00019636,0.00128668,-0.00051404,0.00075211,0.0
 0001880,0.00010103,0.00019664,-0.00000851,0.00005373,0.00002030,-0.000
 01594,0.00002228,-0.00001893,0.00000546,-0.00003307,0.00000824,-0.0000
 0013,0.00001774,-0.00000010,0.00000119,0.00000793,-0.00000626,0.003515
 23,-0.01459181,0.00781212,-0.00222579,-0.00194918,-0.00248580,0.000727
 44,0.00013486,0.00048812,0.00049968,-0.00116866,0.00035637,0.00002101,
 -0.00000721,0.00000713,0.00000725,-0.00003665,-0.00001018,0.00004280,-
 0.00005848,-0.00006556,0.00000429,-0.00000466,-0.00000808,0.00001497,-
 0.00000304,-0.00000304,0.00000751,-0.00000274,0.00000497,-0.00000181,-
 0.00000076,0.00000207,-0.00000194,-0.00000288,-0.00000064,0.00000144,-
 0.00000259,0.00000271,0.00001051,0.00000509,-0.00000245,-0.00000047,-0
 .00000277,0.00000279,0.00000107,-0.00001382,-0.00000274,0.00000782,0.0
 0000906,-0.00000090,0.00038109,0.00072986,0.00013121,-0.07633470,0.074
 81034,-0.03770443,0.00011558,-0.00025941,-0.00017575,0.00123509,-0.006
 00815,0.00244677,-0.00866163,0.02663018,-0.01434053,0.07924153,-0.0002
 2817,-0.00004905,-0.00005585,-0.00005474,-0.00002177,-0.00016159,-0.00
 023701,0.00033026,-0.00005562,0.00182315,0.00112616,0.00009445,-0.0004
 7818,0.00030079,0.00040708,0.00015951,-0.00016706,0.00007367,0.0000011
 5,0.00003996,-0.00001817,0.00000827,-0.00002667,0.00000704,0.00000118,
 0.00001241,0.00000096,0.00000657,0.00000526,-0.00000289,0.00685566,-0.
 02321905,0.01150978,-0.00318039,-0.00080040,-0.00318079,0.00020543,-0.
 00003337,0.00003187,0.00047794,-0.00208044,0.00033440,-0.00002464,-0.0
 0000664,0.00000698,-0.00000304,-0.00006633,-0.00005335,0.00005442,0.00
 004063,-0.00009557,-0.00001371,-0.00000821,-0.00000091,0.00000410,-0.0
 0000032,0.00000531,-0.00000173,-0.00000141,-0.00000109,-0.00000159,-0.
 00000002,-0.00000222,-0.00000186,-0.00000114,0.00000137,-0.00000050,-0
 .00000114,-0.00000054,0.00000747,0.00000349,-0.00000155,-0.00000327,0.
 00000051,-0.00000059,-0.00000260,-0.00001068,0.00000105,0.00000680,0.0
 0000674,-0.00000007,0.00045631,0.00075738,-0.00029567,0.07230989,-0.23
 336507,0.09649690,0.00015828,-0.00024105,-0.00024060,-0.00117242,0.002
 19812,-0.00058531,0.00084505,-0.00110351,0.00017427,-0.07797732,0.2563
 8165,-0.00010781,-0.00001022,-0.00000181,0.00004834,-0.00001074,-0.000
 12295,0.00026347,0.00002338,0.00016047,0.00050767,0.00019230,0.0003796
 9,-0.00007166,0.00004203,-0.00035205,0.00018165,-0.00012140,0.00014668
 ,0.00000392,0.00001946,0.00000333,0.00000726,-0.00000650,-0.00000091,0
 .00000021,0.00000498,0.00000140,-0.00000167,-0.00000162,0.00000072,0.0
 0372883,-0.01404341,0.00569077,-0.00307310,-0.00123505,-0.00286190,0.0
 0073757,0.00079293,0.00130832,0.00048802,-0.00074894,0.00055365,-0.000
 00256,-0.00000191,0.00000625,0.00000792,-0.00000180,-0.00008062,-0.000
 06727,0.00005237,0.00011140,-0.00000260,0.00002357,-0.00000814,0.00001
 087,0.00000012,-0.00000557,0.00000554,-0.00000003,0.00000248,-0.000001
 24,-0.00000161,0.00000154,0.00000069,-0.00000108,-0.00000229,0.0000007
 8,0.00000011,0.00000088,0.00000161,-0.00000053,-0.00000047,-0.00000047
 ,0.00000011,0.00000030,0.00000123,-0.00000157,-0.00000045,0.00000002,0
 .00000005,-0.00000072,0.00061564,0.00044236,0.00057335,-0.03660044,0.0
 9783197,-0.09712069,0.00018490,-0.00032834,-0.00012648,-0.01115756,0.0
 2696798,-0.01174506,0.00149453,-0.00548624,0.00168492,0.04279569,-0.10
 439275,0.10180397\\0.00001270,-0.00000411,-0.00000211,-0.00000383,0.00
 000395,0.00000738,-0.00001370,0.00000258,-0.00000075,0.00002037,0.0000
 0423,-0.00001101,0.00000574,-0.00000362,-0.00000417,-0.00000602,0.0000
 0030,0.00000168,0.00002430,-0.00002415,0.00000398,-0.00000465,0.000003
 22,-0.00002307,0.00000259,-0.00000643,0.00000320,0.00000161,0.00000947
 ,0.00001601,-0.00004044,-0.00000302,0.00000809,0.00000879,-0.00001457,
 0.00000247,-0.00000348,0.00000141,-0.00000846,-0.00000126,0.00002005,0
 .00001158,-0.00000100,0.00000210,0.00000175,0.00000169,-0.00000254,0.0
 0000170,0.00000108,-0.00000192,0.,0.00000021,0.00000239,-0.00000284,-0
 .00000629,0.00000621,-0.00000064,-0.00000426,0.00001278,-0.00000167,0.
 00000173,-0.00000101,0.00000317,0.00000252,-0.00000034,-0.00000186,-0.
 00000342,0.00000113,0.00000196,-0.00000470,-0.00000107,-0.00000389,-0.
 00000070,-0.00000113,0.00000006,0.00000026,0.00000202,-0.00000051,-0.0
 0000131,-0.00000118,-0.00000045,0.00000967,-0.00000167,-0.00000529,-0.
 00000859,0.00000733,0.00000610,0.00000131,-0.00000461,0.00000060,0.000
 00308,-0.00000458,-0.00000033,0.00000423,-0.00000015,-0.00000164,0.000
 00176,-0.00000306,-0.00000104\\\@


 IT IS A QUALITY OF REVOLUTIONS NOT TO GO BY OLD LINES OR OLD LAWS,
 BUT TO BREAK UP BOTH, AND MAKE NEW ONES.
                                              -- A. LINCOLN (1848)
 Job cpu time:       0 days 15 hours 21 minutes 40.7 seconds.
 Elapsed time:       0 days  1 hours 55 minutes 18.8 seconds.
 File lengths (MBytes):  RWF=    604 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep  8 14:25:00 2021.
